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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID BYbMnOXZXWI
InChI InChI=1S/C25H22ClN5O3S/c1-16-6-12-20(13-7-16)31-24(17-8-10-19(26)11-9-17)29-30-25(31)35-15-22(32)28-27-14-18-4-3-5-21(34-2)23(18)33/h3-14,33H,15H2,1-2H3,(H,28,32)/b27-14+
InChIKey UBGDRDVVIUDQSH-MZJWZYIUSA-N
Mol Weight 508.0 g/mol
Molecular Formula C25H22ClN5O3S
Exact Mass 507.113188 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 AiE8vpWRIWX
Name Acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.113188459 u
Formula C25H22ClN5O3S
InChI InChI=1S/C25H22ClN5O3S/c1-16-6-12-20(13-7-16)31-24(17-8-10-19(26)11-9-17)29-30-25(31)35-15-22(32)28-27-14-18-4-3-5-21(34-2)23(18)33/h3-14,33H,15H2,1-2H3,(H,28,32)/b27-14+
InChIKey UBGDRDVVIUDQSH-MZJWZYIUSA-N
Molecular Weight 507.996 g/mol
SMILES N(\N=C\C=1C(=C(C=CC1)OC)O)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C=1C=CC(=CC1)C)=O