| SpectraBase Spectrum ID |
CG6QEcpgT6H |
| Name |
2-{[4-Allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.162331554 u |
| Formula |
C21H23N5OS |
| InChI |
InChI=1S/C21H23N5OS/c1-3-13-26-19(14-22-17-11-9-16(2)10-12-17)24-25-21(26)28-15-20(27)23-18-7-5-4-6-8-18/h3-12,22H,1,13-15H2,2H3,(H,23,27) |
| InChIKey |
CRUUCTJMYNEUEF-UHFFFAOYSA-N |
| Molecular Weight |
393.509 g/mol |
| SMILES |
N(C(CSC=1N(C(CNC2=CC=C(C)C=C2)=NN1)CC=C)=O)C1=CC=CC=C1 |
![2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide](/api/spectrum/CG6QEcpgT6H/structure.png?h=300&w=458 "2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide")
