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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(2-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID AW4lOsmOYPa
InChI InChI=1S/C24H21N5O2S/c1-17-11-13-18(14-12-17)23-27-28-24(29(23)20-8-3-2-4-9-20)32-16-22(31)26-25-15-19-7-5-6-10-21(19)30/h2-15,30H,16H2,1H3,(H,26,31)/b25-15-
InChIKey ABEJKJXLCUQYAB-MYYYXRDXSA-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

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SpectraBase Spectrum ID 7Vmrn8LFQxe
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(2-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/c1-17-11-13-18(14-12-17)23-27-28-24(29(23)20-8-3-2-4-9-20)32-16-22(31)26-25-15-19-7-5-6-10-21(19)30/h2-15,30H,16H2,1H3,(H,26,31)/b25-15-
InChIKey ABEJKJXLCUQYAB-MYYYXRDXSA-N
Molecular Weight 443.525 g/mol
SMILES N(\N=C/C=1C(=CC=CC1)O)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C1=CC=CC=C1)=O