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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dichlorophenyl)methylidene]hydrazide
SpectraBase Compound ID cWXUxFNiLX
InChI InChI=1S/C24H19Cl2N5OS/c1-16-7-10-18(11-8-16)23-29-30-24(31(23)19-5-3-2-4-6-19)33-15-22(32)28-27-14-17-9-12-20(25)21(26)13-17/h2-14H,15H2,1H3,(H,28,32)/b27-14+
InChIKey PWPXDPBTUUROAQ-MZJWZYIUSA-N
Mol Weight 496.42 g/mol
Molecular Formula C24H19Cl2N5OS
Exact Mass 495.068737 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 HcMNKUw44hP
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dichlorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.068736825 u
Formula C24H19Cl2N5OS
InChI InChI=1S/C24H19Cl2N5OS/c1-16-7-10-18(11-8-16)23-29-30-24(31(23)19-5-3-2-4-6-19)33-15-22(32)28-27-14-17-9-12-20(25)21(26)13-17/h2-14H,15H2,1H3,(H,28,32)/b27-14+
InChIKey PWPXDPBTUUROAQ-MZJWZYIUSA-N
Molecular Weight 496.416 g/mol
SMILES N(\N=C\C=1C=C(Cl)C(=CC1)Cl)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C1=CC=CC=C1)=O