2-({[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V003-0124 |
| Compound Name: | 2-({[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C20 H18 N4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1CC=C)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.815 |
| logD: | 4.815 |
| logSw: | -4.742 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.275 |
| InChI Key: | MIBNPWJLODOPNA-UHFFFAOYSA-N |