| SpectraBase Spectrum ID |
7URMirQ6E7D |
| Name |
Benzamide, 3-chloro-N-[[5-mercapto-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]methyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.049859928 u |
| Formula |
C13H13ClN4OS |
| InChI |
InChI=1S/C13H13ClN4OS/c1-2-6-18-11(16-17-13(18)20)8-15-12(19)9-4-3-5-10(14)7-9/h2-5,7H,1,6,8H2,(H,15,19)(H,17,20) |
| InChIKey |
CEGDFYPKKNCXRE-UHFFFAOYSA-N |
| Molecular Weight |
308.787 g/mol |
| SMILES |
C1=CC=C(C=C1Cl)C(NCC=1N(C(=NN1)S)CC=C)=O |
![Benzamide, 3-chloro-N-[[5-mercapto-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]methyl]-](/api/spectrum/7URMirQ6E7D/structure.png?h=300&w=458 "Benzamide, 3-chloro-N-[[5-mercapto-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]methyl]-")
