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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-chlorophenyl)methylidene]hydrazide
SpectraBase Compound ID 7GR6ZRl5NT8
InChI InChI=1S/C24H20ClN5O2S/c1-32-21-12-10-18(11-13-21)23-28-29-24(30(23)20-8-3-2-4-9-20)33-16-22(31)27-26-15-17-6-5-7-19(25)14-17/h2-15H,16H2,1H3,(H,27,31)/b26-15+
InChIKey GOMPUVIEYGQAMT-CVKSISIWSA-N
Mol Weight 477.97 g/mol
Molecular Formula C24H20ClN5O2S
Exact Mass 477.102624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJn1tDE9OSy
Name Acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-chlorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.102623776 u
Formula C24H20ClN5O2S
InChI InChI=1S/C24H20ClN5O2S/c1-32-21-12-10-18(11-13-21)23-28-29-24(30(23)20-8-3-2-4-9-20)33-16-22(31)27-26-15-17-6-5-7-19(25)14-17/h2-15H,16H2,1H3,(H,27,31)/b26-15+
InChIKey GOMPUVIEYGQAMT-CVKSISIWSA-N
Molecular Weight 477.970 g/mol
SMILES N(\N=C\C=1C=C(Cl)C=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C=1C=CC=CC1)=O