4-(((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile structure
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Common Name | 4-(((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile | ||
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| CAS Number | 571942-55-7 | Molecular Weight | 413.49500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C23H19N5OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 4-(((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile |
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| Molecular Formula | C23H19N5OS |
|---|---|
| Molecular Weight | 413.49500 |
| Exact Mass | 413.13100 |
| PSA | 101.92000 |
| LogP | 4.89198 |
| InChIKey | VMMLKCAYNNYSQT-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccnc2)cc1 |