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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(5-bromo-2-hydroxyphenyl)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-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID FzATLJvPL4m
InChI InChI=1S/C24H20BrN5O2S/c1-16-7-9-17(10-8-16)23-28-29-24(30(23)20-5-3-2-4-6-20)33-15-22(32)27-26-14-18-13-19(25)11-12-21(18)31/h2-14,31H,15H2,1H3,(H,27,32)/b26-14-
InChIKey AMZKTYSIDMAMRA-WGARJPEWSA-N
Mol Weight 522.42 g/mol
Molecular Formula C24H20BrN5O2S
Exact Mass 521.052109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PNCKkAfBp2
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.052109076 u
Formula C24H20BrN5O2S
InChI InChI=1S/C24H20BrN5O2S/c1-16-7-9-17(10-8-16)23-28-29-24(30(23)20-5-3-2-4-6-20)33-15-22(32)27-26-14-18-13-19(25)11-12-21(18)31/h2-14,31H,15H2,1H3,(H,27,32)/b26-14-
InChIKey AMZKTYSIDMAMRA-WGARJPEWSA-N
Molecular Weight 522.421 g/mol
SMILES N(\N=C/C=1C(=CC=C(C1)Br)O)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1=CC=CC=C1)=O