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N'-[(E)-(3-chlorophenyl)methylidene]-2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID CuQfhPehdsB
InChI InChI=1S/C20H20ClN5OS/c1-3-26-19(16-9-7-14(2)8-10-16)24-25-20(26)28-13-18(27)23-22-12-15-5-4-6-17(21)11-15/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-12+
InChIKey URRXLXDPOGXLSD-WSDLNYQXSA-N
Mol Weight 413.93 g/mol
Molecular Formula C20H20ClN5OS
Exact Mass 413.107709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjXjzofyzdb
Name N'-[(E)-(3-chlorophenyl)methylidene]-2-{[4-ethyl-5-(4-methylphenyl)-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 413.107709157 u
Formula C20H20ClN5OS
InChI InChI=1S/C20H20ClN5OS/c1-3-26-19(16-9-7-14(2)8-10-16)24-25-20(26)28-13-18(27)23-22-12-15-5-4-6-17(21)11-15/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-12+
InChIKey URRXLXDPOGXLSD-WSDLNYQXSA-N
Molecular Weight 413.927 g/mol
SMILES N(\N=C\C=1C=C(Cl)C=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)CC)=O