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N'-[(E)-(2,6-dichlorophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID JgFjy0utFCE
InChI InChI=1S/C20H19Cl2N5O2S/c1-3-27-19(13-7-9-14(29-2)10-8-13)25-26-20(27)30-12-18(28)24-23-11-15-16(21)5-4-6-17(15)22/h4-11H,3,12H2,1-2H3,(H,24,28)/b23-11+
InChIKey SBJMDXHDKUBAMM-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 FeUWRpAsqC3
Name N'-[(E)-(2,6-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(13-7-9-14(29-2)10-8-13)25-26-20(27)30-12-18(28)24-23-11-15-16(21)5-4-6-17(15)22/h4-11H,3,12H2,1-2H3,(H,24,28)/b23-11+
InChIKey SBJMDXHDKUBAMM-FOKLQQMPSA-N
Molecular Weight 464.371 g/mol
SMILES N(\N=C\C=1C(Cl)=CC=CC1Cl)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O