| SpectraBase Spectrum ID |
2JiFM3Gqfz |
| Name |
2-{[4-Allyl-5-(2-chlorophenyl)-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 |
412.112460185 u |
| Formula |
C21H21ClN4OS |
| InChI |
InChI=1S/C21H21ClN4OS/c1-4-12-26-20(16-10-5-6-11-17(16)22)24-25-21(26)28-13-18(27)23-19-14(2)8-7-9-15(19)3/h4-11H,1,12-13H2,2-3H3,(H,23,27) |
| InChIKey |
BALNHTQNMRUGBS-UHFFFAOYSA-N |
| Molecular Weight |
412.939 g/mol |
| SMILES |
N(C=1C(=CC=CC1C)C)C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC=C)=O |
![2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide](/api/spectrum/2JiFM3Gqfz/structure.png?h=300&w=458 "2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide")
