| SpectraBase Spectrum ID |
9UBfKoy1WL4 |
| Name |
N-(4-Bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.108895678 u |
| Formula |
C23H27BrN4OS |
| InChI |
InChI=1S/C23H27BrN4OS/c1-6-28-21(16-7-9-17(10-8-16)23(3,4)5)26-27-22(28)30-14-20(29)25-19-12-11-18(24)13-15(19)2/h7-13H,6,14H2,1-5H3,(H,25,29) |
| InChIKey |
JGVYJAPWJYWPCJ-UHFFFAOYSA-N |
| Molecular Weight |
487.460 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)CC)=O)C1=C(C=C(C=C1)Br)C |
![N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/9UBfKoy1WL4/structure.png?h=300&w=458 "N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
