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)-(4-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID E2dctTkUMcM
InChI InChI=1S/C24H21N5O2S/c1-17-7-11-19(12-8-17)23-27-28-24(29(23)20-5-3-2-4-6-20)32-16-22(31)26-25-15-18-9-13-21(30)14-10-18/h2-15,30H,16H2,1H3,(H,26,31)/b25-15+
InChIKey OAEQECAMIFAQCN-MFKUBSTISA-N
Mol Weight 443.53 g/mol
Molecular Formula C24H21N5O2S
Exact Mass 443.141596 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 BYQTf0LNTYj
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-hydroxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.141596108 u
Formula C24H21N5O2S
InChI InChI=1S/C24H21N5O2S/c1-17-7-11-19(12-8-17)23-27-28-24(29(23)20-5-3-2-4-6-20)32-16-22(31)26-25-15-18-9-13-21(30)14-10-18/h2-15,30H,16H2,1H3,(H,26,31)/b25-15+
InChIKey OAEQECAMIFAQCN-MFKUBSTISA-N
Molecular Weight 443.525 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)O)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C=1C=CC=CC1)=O