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

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N'-[(E)-(3,4-dichlorophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID C5V3WAG8mdA
InChI InChI=1S/C20H19Cl2N5O2S/c1-3-27-19(14-5-7-15(29-2)8-6-14)25-26-20(27)30-12-18(28)24-23-11-13-4-9-16(21)17(22)10-13/h4-11H,3,12H2,1-2H3,(H,24,28)/b23-11+
InChIKey RDSGQUIPYXMYLA-FOKLQQMPSA-N
Mol Weight 464.37 g/mol
Molecular Formula C20H19Cl2N5O2S
Exact Mass 463.063651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUFZp9HNo9g
Name N'-[(E)-(3,4-dichlorophenyl)methylidene]-2-{[4-ethyl-5-(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 463.063651444 u
Formula C20H19Cl2N5O2S
InChI InChI=1S/C20H19Cl2N5O2S/c1-3-27-19(14-5-7-15(29-2)8-6-14)25-26-20(27)30-12-18(28)24-23-11-13-4-9-16(21)17(22)10-13/h4-11H,3,12H2,1-2H3,(H,24,28)/b23-11+
InChIKey RDSGQUIPYXMYLA-FOKLQQMPSA-N
Molecular Weight 464.371 g/mol
SMILES N(\N=C\C=1C=C(Cl)C(=CC1)Cl)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)CC)=O