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

View entire compound with spectra: 2 NMR

acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID D97eQrJZ5nR
InChI InChI=1S/C24H20BrN5O2S/c1-16-7-10-20(11-8-16)30-23(17-5-3-2-4-6-17)28-29-24(30)33-15-22(32)27-26-14-18-13-19(25)9-12-21(18)31/h2-14,31H,15H2,1H3,(H,27,32)/b26-14+
InChIKey ODTXQCRRUHLJIU-VULFUBBASA-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 B0Dp1QldnY3
Name Acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(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/c1-16-7-10-20(11-8-16)30-23(17-5-3-2-4-6-17)28-29-24(30)33-15-22(32)27-26-14-18-13-19(25)9-12-21(18)31/h2-14,31H,15H2,1H3,(H,27,32)/b26-14+
InChIKey ODTXQCRRUHLJIU-VULFUBBASA-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=CC=C1)C1=CC=C(C=C1)C)=O