| SpectraBase Spectrum ID |
6H8sAbhoZ8e |
| Name |
2-{[5-(2-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.128110250 u |
| Formula |
C25H23ClN4OS |
| InChI |
InChI=1S/C25H23ClN4OS/c1-16-8-10-20(11-9-16)30-24(21-6-4-5-7-22(21)26)28-29-25(30)32-15-23(31)27-19-13-17(2)12-18(3)14-19/h4-14H,15H2,1-3H3,(H,27,31) |
| InChIKey |
JPIUZGUHBIUSOP-UHFFFAOYSA-N |
| Molecular Weight |
462.999 g/mol |
| SMILES |
N(C1=CC(C)=CC(=C1)C)C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C1=CC=C(C=C1)C)=O |
![2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide](/api/spectrum/6H8sAbhoZ8e/structure.png?h=300&w=458 "2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide")
