| SpectraBase Spectrum ID |
KjcvU5rdMPY |
| Name |
2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.041210040 u |
| Formula |
C20H19BrN4O2S |
| InChI |
InChI=1S/C20H19BrN4O2S/c1-2-12-25-18(13-27-17-6-4-3-5-7-17)23-24-20(25)28-14-19(26)22-16-10-8-15(21)9-11-16/h2-11H,1,12-14H2,(H,22,26) |
| InChIKey |
IOSFJSONGAUOOB-UHFFFAOYSA-N |
| Molecular Weight |
459.362 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)COC1=CC=CC=C1)CC=C)=O)C=1C=CC(=CC1)Br |
![2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide](/api/spectrum/KjcvU5rdMPY/structure.png?h=300&w=458 "2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide")
