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

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acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID 6sUajCIDKsI
InChI InChI=1S/C25H23N5O3S/c1-17-11-13-20(14-12-17)30-24(18-7-4-3-5-8-18)28-29-25(30)34-16-22(31)27-26-15-19-9-6-10-21(33-2)23(19)32/h3-15,32H,16H2,1-2H3,(H,27,31)/b26-15+
InChIKey CSAIFCPORHEWQP-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 B3tRigSYECX
Name Acetic acid, [[4-(4-methylphenyl)-5-phenyl-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 473.152160792 u
Formula C25H23N5O3S
InChI InChI=1S/C25H23N5O3S/c1-17-11-13-20(14-12-17)30-24(18-7-4-3-5-8-18)28-29-25(30)34-16-22(31)27-26-15-19-9-6-10-21(33-2)23(19)32/h3-15,32H,16H2,1-2H3,(H,27,31)/b26-15+
InChIKey CSAIFCPORHEWQP-CVKSISIWSA-N
Molecular Weight 473.551 g/mol
SMILES N(\N=C\C=1C(=C(C=CC1)OC)O)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C1=CC=C(C=C1)C)=O