For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID LfqQwQJB3YT
InChI InChI=1S/C25H23ClN4OS/c1-16-4-8-19(9-5-16)24-28-29-25(30(24)21-11-6-17(2)7-12-21)32-15-23(31)27-22-13-10-20(26)14-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey PQZVHBKKXYPLOP-UHFFFAOYSA-N
Mol Weight 463.0 g/mol
Molecular Formula C25H23ClN4OS
Exact Mass 462.12811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID YCOhZASOwg
Name 2-{[4,5-bis(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.128110250 u
Formula C25H23ClN4OS
InChI InChI=1S/C25H23ClN4OS/c1-16-4-8-19(9-5-16)24-28-29-25(30(24)21-11-6-17(2)7-12-21)32-15-23(31)27-22-13-10-20(26)14-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey PQZVHBKKXYPLOP-UHFFFAOYSA-N
Molecular Weight 462.999 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C)=O)C1=C(C=C(C=C1)Cl)C