| SpectraBase Spectrum ID |
BQsFJYkCB8A |
| Name |
2-{[4-(4-Chlorophenyl)-5-(3-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/c1-16-5-4-6-19(12-16)24-28-29-25(30(24)22-9-7-20(26)8-10-22)32-15-23(31)27-21-13-17(2)11-18(3)14-21/h4-14H,15H2,1-3H3,(H,27,31) |
| InChIKey |
ONBVAEWQQJMWTK-UHFFFAOYSA-N |
| Molecular Weight |
462.999 g/mol |
| SMILES |
N(C1=CC(C)=CC(=C1)C)C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C1=CC=C(C=C1)Cl)=O |
![2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide](/api/spectrum/BQsFJYkCB8A/structure.png?h=300&w=458 "2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide")
