| SpectraBase Spectrum ID |
3K8oVELYTYK |
| Name |
2-{[4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.161997201 u |
| Formula |
C22H24N4O2S |
| InChI |
InChI=1S/C22H24N4O2S/c1-5-12-26-21(17-9-6-15(2)7-10-17)24-25-22(26)29-14-20(27)23-18-13-16(3)8-11-19(18)28-4/h5-11,13H,1,12,14H2,2-4H3,(H,23,27) |
| InChIKey |
VIBCDZLMFQMJGC-UHFFFAOYSA-N |
| Molecular Weight |
408.520 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)C)OC)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)CC=C)=O |
![2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide](/api/spectrum/3K8oVELYTYK/structure.png?h=300&w=458 "2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide")
