| SpectraBase Spectrum ID |
1ZzOCLKkbYj |
| Name |
2-({4-(3-Methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.110888148 u |
| Formula |
C25H21F3N4OS2 |
| InChI |
InChI=1S/C25H21F3N4OS2/c1-17-8-7-9-18(14-17)32-22(15-34-19-10-3-2-4-11-19)30-31-24(32)35-16-23(33)29-21-13-6-5-12-20(21)25(26,27)28/h2-14H,15-16H2,1H3,(H,29,33) |
| InChIKey |
UEMIWXNKJNRQFI-UHFFFAOYSA-N |
| Molecular Weight |
514.585 g/mol |
| SMILES |
N(C1=C(C(F)(F)F)C=CC=C1)C(CSC=1N(C(=NN1)CSC1=CC=CC=C1)C1=CC(C)=CC=C1)=O |
![2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide](/api/spectrum/1ZzOCLKkbYj/structure.png?h=300&w=458 "2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide")
