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methyl (2Z)-[(2-chlorophenyl)hydrazono][(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoate
SpectraBase Compound ID 7kJrPxTf13Z
InChI InChI=1S/C23H18ClN5O2S/c1-31-22(30)21(27-25-19-15-9-8-14-18(19)24)32-23-28-26-20(16-10-4-2-5-11-16)29(23)17-12-6-3-7-13-17/h2-15,25H,1H3/b27-21-
InChIKey BEFYJFHEIFDEDD-MEFGMAGPSA-N
Mol Weight 463.94 g/mol
Molecular Formula C23H18ClN5O2S
Exact Mass 463.086974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BznB6aVZ3XD
Name Methyl (2Z)-[(2-chlorophenyl)hydrazono][(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.086973712 u
Formula C23H18ClN5O2S
InChI InChI=1S/C23H18ClN5O2S/c1-31-22(30)21(27-25-19-15-9-8-14-18(19)24)32-23-28-26-20(16-10-4-2-5-11-16)29(23)17-12-6-3-7-13-17/h2-15,25H,1H3/b27-21-
InChIKey BEFYJFHEIFDEDD-MEFGMAGPSA-N
Molecular Weight 463.943 g/mol
SMILES N(\N=C\(SC=1N(C(C=2C=CC=CC2)=NN1)C=1C=CC=CC1)C(=O)OC)C=1C(Cl)=CC=CC1