2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide

Modify Date: 2025-09-23 06:47:10

2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide Structure
2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide structure
 Common Name 2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide
CAS Number 97399-35-4 Molecular Weight 631.33900
Density N/A Boiling Point N/A
Molecular Formula C25H21Br2N5O3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C25H21Br2N5O3S
Molecular Weight 631.33900
Exact Mass 628.97300
PSA 141.16000
LogP 5.68360
InChIKey NGSHPSIPAHQOES-UHFFFAOYSA-N
SMILES Cc1ccc(-n2c(SCC(=O)NC(=O)Nc3ccccc3C)nnc2-c2cc(Br)cc(Br)c2O)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB6322000
CHEMICAL NAME :
Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl )-4H-1,2,4-triazol-3- yl) thio)-N-(((2-methylphenyl)amino)carbonyl)-
CAS REGISTRY NUMBER :
97399-35-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H21-Br2-N5-O3-S
MOLECULAR WEIGHT :
631.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 20,190,1985

 Synthetic Route

N/A structure

N/A

CAS#:97399-41-2

1-(2-chloroacetyl)-3-o-tolylurea structure

1-(2-chloroacet...

CAS#:13558-76-4

~53%

2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192
methyl 3,5-dibromo-2-hydroxybenzoate structure

methyl 3,5-dibr...

CAS#:21702-79-4

~%

2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192
3,5-dibromosalicylhydrazide structure

3,5-dibromosali...

CAS#:46155-70-8

~%

2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192
N/A structure

N/A

CAS#:94493-97-7

~%

2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192
Methyl salicylate structure

Methyl salicylate

CAS#:119-36-8

~%

2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

 Synonyms

LS-8811
Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(((2-methylphenyl)amino)carbonyl)
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Chemsrc provides CAS#:97399-35-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide>> amp version: 2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide

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