| SpectraBase Spectrum ID |
J5gZrwIbOQF |
| Name |
N-({4-Allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)aniline |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.051380802 u |
| Formula |
C19H19BrN4S |
| InChI |
InChI=1S/C19H19BrN4S/c1-2-11-24-18(13-21-17-9-4-3-5-10-17)22-23-19(24)25-14-15-7-6-8-16(20)12-15/h2-10,12,21H,1,11,13-14H2 |
| InChIKey |
BUTVGCNFIRJNPM-UHFFFAOYSA-N |
| Molecular Weight |
415.353 g/mol |
| SMILES |
N(CC=1N(C(=NN1)SCC1=CC(Br)=CC=C1)CC=C)C=1C=CC=CC1 |
![N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)aniline](/api/spectrum/J5gZrwIbOQF/structure.png?h=300&w=458 "N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)aniline")
