SpectraBase Spectrum ID |
34D7kMLAsQF |
Name |
N-(2-Ethyl-6-methylphenyl)-2-{[5-(3-methylphenyl)-4-(4-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 |
456.198382711 u |
Formula |
C27H28N4OS |
InChI |
InChI=1S/C27H28N4OS/c1-5-21-10-7-9-20(4)25(21)28-24(32)17-33-27-30-29-26(22-11-6-8-19(3)16-22)31(27)23-14-12-18(2)13-15-23/h6-16H,5,17H2,1-4H3,(H,28,32) |
InChIKey |
PEAQVYFPTPKJII-UHFFFAOYSA-N |
Molecular Weight |
456.608 g/mol |
SMILES |
N(C1=C(C=CC=C1CC)C)C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C1=CC=C(C=C1)C)=O |