2-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-0119 |
| Compound Name: | 2-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C20 H14 N4 S2 |
| Smiles: | C(c1ccccc1C#N)Sc1nnc(c2cccs2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7909 |
| logD: | 4.7908 |
| logSw: | -4.944 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.787 |
| InChI Key: | QADNIJBHOIRLCG-UHFFFAOYSA-N |