| SpectraBase Spectrum ID |
Nq4fL8gTEm |
| Name |
2-{[5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.898078295 u |
| Formula |
C17H12BrCl3N4OS |
| InChI |
InChI=1S/C17H12BrCl3N4OS/c1-25-16(9-2-4-10(18)5-3-9)23-24-17(25)27-8-15(26)22-14-7-12(20)11(19)6-13(14)21/h2-7H,8H2,1H3,(H,22,26) |
| InChIKey |
PWIMYRPLNKUOOQ-UHFFFAOYSA-N |
| Molecular Weight |
506.633 g/mol |
| SMILES |
N(C1=CC(Cl)=C(C=C1Cl)Cl)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Br)C)=O |
![2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)acetamide](/api/spectrum/Nq4fL8gTEm/structure.png?h=300&w=458 "2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)acetamide")
