| SpectraBase Spectrum ID |
FzOPOGFN1gC |
| Name |
4-Allyl-3-[(4-bromobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.051046449 u |
| Formula |
C20H20BrN3OS |
| InChI |
InChI=1S/C20H20BrN3OS/c1-3-12-24-19(13-25-18-10-4-15(2)5-11-18)22-23-20(24)26-14-16-6-8-17(21)9-7-16/h3-11H,1,12-14H2,2H3 |
| InChIKey |
HTSOMEOPNHBHRH-UHFFFAOYSA-N |
| Molecular Weight |
430.364 g/mol |
| SMILES |
CC1=CC=C(OCC=2N(C(=NN2)SCC=2C=CC(=CC2)Br)CC=C)C=C1 |
![4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole](/api/spectrum/FzOPOGFN1gC/structure.png?h=300&w=458 "4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole")
