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

View entire compound with spectra: 2 NMR

2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID LvPCXmmNP9l
InChI InChI=1S/C27H26ClN5O5S/c1-35-21-11-5-18(6-12-21)26-31-32-27(33(26)20-9-7-19(28)8-10-20)39-16-24(34)30-29-15-17-13-22(36-2)25(38-4)23(14-17)37-3/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey BANMTVSYHUDYAU-WKULSOCRSA-N
Mol Weight 568.05 g/mol
Molecular Formula C27H26ClN5O5S
Exact Mass 567.134318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gucslyh3Agk
Name 2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.134317826 u
Formula C27H26ClN5O5S
InChI InChI=1S/C27H26ClN5O5S/c1-35-21-11-5-18(6-12-21)26-31-32-27(33(26)20-9-7-19(28)8-10-20)39-16-24(34)30-29-15-17-13-22(36-2)25(38-4)23(14-17)37-3/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey BANMTVSYHUDYAU-WKULSOCRSA-N
Molecular Weight 568.048 g/mol
SMILES N(\N=C\C1=CC(OC)=C(C(=C1)OC)OC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C=1C=CC(=CC1)Cl)=O