| SpectraBase Spectrum ID |
GB8wFtodqD |
| Name |
2-{[4-Allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.107709157 u |
| Formula |
C20H20ClN5OS |
| InChI |
InChI=1S/C20H20ClN5OS/c1-2-12-26-18(13-22-15-8-4-3-5-9-15)24-25-20(26)28-14-19(27)23-17-11-7-6-10-16(17)21/h2-11,22H,1,12-14H2,(H,23,27) |
| InChIKey |
NIXSTHLHKXLXHM-UHFFFAOYSA-N |
| Molecular Weight |
413.927 g/mol |
| SMILES |
N(CC=1N(C(SCC(NC2=C(Cl)C=CC=C2)=O)=NN1)CC=C)C1=CC=CC=C1 |
![2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide](/api/spectrum/GB8wFtodqD/structure.png?h=300&w=458 "2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide")
