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

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2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID KVfVcX94XiY
InChI InChI=1S/C27H26ClN5O4S/c1-17-5-11-21(12-6-17)33-26(19-7-9-20(28)10-8-19)31-32-27(33)38-16-24(34)30-29-15-18-13-22(35-2)25(37-4)23(14-18)36-3/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey SAFXAHBKVCAMEG-WKULSOCRSA-N
Mol Weight 552.05 g/mol
Molecular Formula C27H26ClN5O4S
Exact Mass 551.139403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9k0XAMtebjW
Name 2-{[5-(4-Chlorophenyl)-4-(4-methylphenyl)-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 551.139403207 u
Formula C27H26ClN5O4S
InChI InChI=1S/C27H26ClN5O4S/c1-17-5-11-21(12-6-17)33-26(19-7-9-20(28)10-8-19)31-32-27(33)38-16-24(34)30-29-15-18-13-22(35-2)25(37-4)23(14-18)36-3/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey SAFXAHBKVCAMEG-WKULSOCRSA-N
Molecular Weight 552.049 g/mol
SMILES N(\N=C\C1=CC(OC)=C(C(=C1)OC)OC)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)C)=O