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N'-[(E)-2-furylmethylidene]-2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
SpectraBase Compound ID 5W95BUI0bNx
InChI InChI=1S/C23H22N6O3S/c1-31-20-12-6-5-11-19(20)24-15-21-26-28-23(29(21)17-8-3-2-4-9-17)33-16-22(30)27-25-14-18-10-7-13-32-18/h2-14,24H,15-16H2,1H3,(H,27,30)/b25-14+
InChIKey IDUKVVPOGKZWGJ-AFUMVMLFSA-N
Mol Weight 462.53 g/mol
Molecular Formula C23H22N6O3S
Exact Mass 462.14741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zboWaKgl37
Name N'-[(E)-2-furylmethylidene]-2-({5-[(2-methoxyanilino)methyl]-4-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 462.147409763 u
Formula C23H22N6O3S
InChI InChI=1S/C23H22N6O3S/c1-31-20-12-6-5-11-19(20)24-15-21-26-28-23(29(21)17-8-3-2-4-9-17)33-16-22(30)27-25-14-18-10-7-13-32-18/h2-14,24H,15-16H2,1H3,(H,27,30)/b25-14+
InChIKey IDUKVVPOGKZWGJ-AFUMVMLFSA-N
Molecular Weight 462.528 g/mol
SMILES N(CC=1N(C(SCC(N\N=C\C=2OC=CC2)=O)=NN1)C1=CC=CC=C1)C=1C(OC)=CC=CC1