2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-3492 |
| Compound Name: | 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C23 H17 Cl N4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2[Cl])nnc1SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.8471 |
| logD: | 5.8471 |
| logSw: | -6.0358 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.769 |
| InChI Key: | SFKWBTDUMVOKLH-UHFFFAOYSA-N |