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N'-[(E)-(4-chlorophenyl)methylidene]-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID CeQ7mlAg7zs
InChI InChI=1S/C24H20ClN5O2S/c1-32-21-13-11-20(12-14-21)30-23(18-5-3-2-4-6-18)28-29-24(30)33-16-22(31)27-26-15-17-7-9-19(25)10-8-17/h2-15H,16H2,1H3,(H,27,31)/b26-15+
InChIKey LQFHYFZRROFVMH-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 FSZi08GzKmB
Name N'-[(E)-(4-chlorophenyl)methylidene]-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
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/c1-32-21-13-11-20(12-14-21)30-23(18-5-3-2-4-6-18)28-29-24(30)33-16-22(31)27-26-15-17-7-9-19(25)10-8-17/h2-15H,16H2,1H3,(H,27,31)/b26-15+
InChIKey LQFHYFZRROFVMH-CVKSISIWSA-N
Molecular Weight 477.970 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)Cl)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C1=CC=C(C=C1)OC)=O