| SpectraBase Spectrum ID |
5ZKPSC75751 |
| Name |
N-[3,5-bis(Trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-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 |
488.110551367 u |
| Formula |
C21H18F6N4OS |
| InChI |
InChI=1S/C21H18F6N4OS/c1-3-31-18(13-6-4-5-12(2)7-13)29-30-19(31)33-11-17(32)28-16-9-14(20(22,23)24)8-15(10-16)21(25,26)27/h4-10H,3,11H2,1-2H3,(H,28,32) |
| InChIKey |
USRPFTKVIQJBGM-UHFFFAOYSA-N |
| Molecular Weight |
488.452 g/mol |
| SMILES |
N(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)CC)=O |
![N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/5ZKPSC75751/structure.png?h=300&w=458 "N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
