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)-1-(3,4-dimethoxyphenyl)ethylidene]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)-1-(3,4-dimethoxyphenyl)ethylidene]hydrazide
SpectraBase Compound ID 2QfHAlFlgzV
InChI InChI=1S/C26H24ClN5O3S/c1-17(19-11-14-22(34-2)23(15-19)35-3)28-29-24(33)16-36-26-31-30-25(18-9-12-20(27)13-10-18)32(26)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,29,33)/b28-17+
InChIKey PZVYEKRPSKUPJU-OGLMXYFKSA-N
Mol Weight 522.02 g/mol
Molecular Formula C26H24ClN5O3S
Exact Mass 521.128839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID HSzl21e2lbk
Name Acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(3,4-dimethoxyphenyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.128838524 u
Formula C26H24ClN5O3S
InChI InChI=1S/C26H24ClN5O3S/c1-17(19-11-14-22(34-2)23(15-19)35-3)28-29-24(33)16-36-26-31-30-25(18-9-12-20(27)13-10-18)32(26)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,29,33)/b28-17+
InChIKey PZVYEKRPSKUPJU-OGLMXYFKSA-N
Molecular Weight 522.023 g/mol
SMILES N(\N=C\(C=1C=C(OC)C(=CC1)OC)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=CC=C1)=O