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N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

View entire compound with spectra: 2 NMR

N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID EOosZDBGuzU
InChI InChI=1S/C33H31N5O5S/c1-40-27-14-10-25(11-15-27)32-36-37-33(38(32)26-12-16-28(41-2)17-13-26)44-22-31(39)35-34-20-24-9-18-29(30(19-24)42-3)43-21-23-7-5-4-6-8-23/h4-20H,21-22H2,1-3H3,(H,35,39)/b34-20+
InChIKey KMOQCOBECNIZKK-QXUDOOCXSA-N
Mol Weight 609.7 g/mol
Molecular Formula C33H31N5O5S
Exact Mass 609.20459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31aBvpHfbGq
Name N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[4,5-bis(4-methoxyphenyl)-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 609.204590287 u
Formula C33H31N5O5S
InChI InChI=1S/C33H31N5O5S/c1-40-27-14-10-25(11-15-27)32-36-37-33(38(32)26-12-16-28(41-2)17-13-26)44-22-31(39)35-34-20-24-9-18-29(30(19-24)42-3)43-21-23-7-5-4-6-8-23/h4-20H,21-22H2,1-3H3,(H,35,39)/b34-20+
InChIKey KMOQCOBECNIZKK-QXUDOOCXSA-N
Molecular Weight 609.701 g/mol
SMILES N(\N=C\C1=CC(OC)=C(C=C1)OCC=1C=CC=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C1=CC=C(C=C1)OC)=O