| SpectraBase Spectrum ID |
I8jkwORin3 |
| Name |
2-{[4-(4-Chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.123024869 u |
| Formula |
C25H23ClN4O2S |
| InChI |
InChI=1S/C25H23ClN4O2S/c1-16-6-4-7-17(2)23(16)27-22(31)15-33-25-29-28-24(18-8-5-9-21(14-18)32-3)30(25)20-12-10-19(26)11-13-20/h4-14H,15H2,1-3H3,(H,27,31) |
| InChIKey |
XZEGIVAGHFZKBC-UHFFFAOYSA-N |
| Molecular Weight |
478.998 g/mol |
| SMILES |
N(C=1C(=CC=CC1C)C)C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)C1=CC=C(C=C1)Cl)=O |
![2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide](/api/spectrum/I8jkwORin3/structure.png?h=300&w=458 "2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide")
