SpectraBase Spectrum ID |
NpHxYaExmA |
Name |
2-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
452.087388252 u |
Formula |
C23H18ClFN4OS |
InChI |
InChI=1S/C23H18ClFN4OS/c1-15-11-12-16(13-20(15)25)26-21(30)14-31-23-28-27-22(18-9-5-6-10-19(18)24)29(23)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,30) |
InChIKey |
LIKZXPATQSFMKV-UHFFFAOYSA-N |
Molecular Weight |
452.935 g/mol |
SMILES |
N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C=1C=CC=CC1)=O)C1=CC(F)=C(C=C1)C |