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

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID K6dbAr0tYcS
InChI InChI=1S/C24H21N5O3S/c1-16-7-10-18(11-8-16)23-27-28-24(29(23)19-5-3-2-4-6-19)33-15-22(32)26-25-14-17-9-12-20(30)21(31)13-17/h2-14,30-31H,15H2,1H3,(H,26,32)/b25-14+
InChIKey AMSLRYGCIDRPIP-AFUMVMLFSA-N
Mol Weight 459.52 g/mol
Molecular Formula C24H21N5O3S
Exact Mass 459.136511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpESGqOl3qm
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.136510727 u
Formula C24H21N5O3S
InChI InChI=1S/C24H21N5O3S/c1-16-7-10-18(11-8-16)23-27-28-24(29(23)19-5-3-2-4-6-19)33-15-22(32)26-25-14-17-9-12-20(30)21(31)13-17/h2-14,30-31H,15H2,1H3,(H,26,32)/b25-14+
InChIKey AMSLRYGCIDRPIP-AFUMVMLFSA-N
Molecular Weight 459.524 g/mol
SMILES N(\N=C\C1=CC=C(C(=C1)O)O)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C1=CC=CC=C1)=O