| SpectraBase Spectrum ID |
3CLpyyZ70xt |
| Name |
3-(2-Chlorophenyl)-4-(4-methylphenyl)-5-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-4H-1,2,4-triazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.106646530 u |
| Formula |
C24H20ClN3S |
| InChI |
InChI=1S/C24H20ClN3S/c1-18-13-15-20(16-14-18)28-23(21-11-5-6-12-22(21)25)26-27-24(28)29-17-7-10-19-8-3-2-4-9-19/h2-16H,17H2,1H3/b10-7+ |
| InChIKey |
UJWGFKFTUBCEGA-JXMROGBWSA-N |
| Molecular Weight |
417.958 g/mol |
| SMILES |
C=1(N(C(SC\C=C\C2=CC=CC=C2)=NN1)C=1C=CC(=CC1)C)C=1C(Cl)=CC=CC1 |
![3-(2-chlorophenyl)-4-(4-methylphenyl)-5-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-4H-1,2,4-triazole](/api/spectrum/3CLpyyZ70xt/structure.png?h=300&w=458 "3-(2-chlorophenyl)-4-(4-methylphenyl)-5-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-4H-1,2,4-triazole")
