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

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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID BVlgPF63nGu
InChI InChI=1S/C25H23N5O3S/c1-17-8-11-19(12-9-17)24-28-29-25(30(24)20-6-4-3-5-7-20)34-16-23(32)27-26-15-18-10-13-21(31)22(14-18)33-2/h3-15,31H,16H2,1-2H3,(H,27,32)/b26-15+
InChIKey XNDXEEDSAJCBED-CVKSISIWSA-N
Mol Weight 473.55 g/mol
Molecular Formula C25H23N5O3S
Exact Mass 473.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJwG6OngNIn
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.152160792 u
Formula C25H23N5O3S
InChI InChI=1S/C25H23N5O3S/c1-17-8-11-19(12-9-17)24-28-29-25(30(24)20-6-4-3-5-7-20)34-16-23(32)27-26-15-18-10-13-21(31)22(14-18)33-2/h3-15,31H,16H2,1-2H3,(H,27,32)/b26-15+
InChIKey XNDXEEDSAJCBED-CVKSISIWSA-N
Molecular Weight 473.551 g/mol
SMILES N(\N=C\C1=CC=C(C(=C1)OC)O)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C1=CC=CC=C1)=O