4,5-bis{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4,5-bis{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}benzene-1,2-dicarbonitrile
4,5-bis{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-6317 |
| Compound Name: | 4,5-bis{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}benzene-1,2-dicarbonitrile |
| Molecular Weight: | 570.74 |
| Molecular Formula: | C26 H18 N8 S4 |
| Smiles: | C=CCn1c(c2cccs2)nnc1Sc1cc(C#N)c(C#N)cc1Sc1nnc(c2cccs2)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 6.3355 |
| logD: | 6.3355 |
| logSw: | -6.4246 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.349 |
| InChI Key: | QZFILQZGRZLUGM-UHFFFAOYSA-N |