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

*Links on SpectraBase are not permalinks.

acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methylphenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methylphenyl)methylidene]hydrazide
SpectraBase Compound ID GWGf1OrHQk0
InChI InChI=1S/C24H20ClN5OS/c1-17-6-5-7-18(14-17)15-26-27-22(31)16-32-24-29-28-23(19-10-12-20(25)13-11-19)30(24)21-8-3-2-4-9-21/h2-15H,16H2,1H3,(H,27,31)/b26-15+
InChIKey YYTZCHSJFOSSSG-CVKSISIWSA-N
Mol Weight 461.97 g/mol
Molecular Formula C24H20ClN5OS
Exact Mass 461.107709 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 G4m6CurGHW9
Name Acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methylphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.107709157 u
Formula C24H20ClN5OS
InChI InChI=1S/C24H20ClN5OS/c1-17-6-5-7-18(14-17)15-26-27-22(31)16-32-24-29-28-23(19-10-12-20(25)13-11-19)30(24)21-8-3-2-4-9-21/h2-15H,16H2,1H3,(H,27,31)/b26-15+
InChIKey YYTZCHSJFOSSSG-CVKSISIWSA-N
Molecular Weight 461.971 g/mol
SMILES N(\N=C\C=1C=C(C)C=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C=1C=CC=CC1)=O