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N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID 9mJBQg94oP3
InChI InChI=1S/C20H20BrN5O2S/c1-3-26-19(15-7-9-17(28-2)10-8-15)24-25-20(26)29-13-18(27)23-22-12-14-5-4-6-16(21)11-14/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-12+
InChIKey JILXSYUCIXWVKE-WSDLNYQXSA-N
Mol Weight 474.38 g/mol
Molecular Formula C20H20BrN5O2S
Exact Mass 473.052109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DU475ux8H9c
Name N'-[(E)-(3-bromophenyl)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 473.052109076 u
Formula C20H20BrN5O2S
InChI InChI=1S/C20H20BrN5O2S/c1-3-26-19(15-7-9-17(28-2)10-8-15)24-25-20(26)29-13-18(27)23-22-12-14-5-4-6-16(21)11-14/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-12+
InChIKey JILXSYUCIXWVKE-WSDLNYQXSA-N
Molecular Weight 474.377 g/mol
SMILES N(\N=C\C=1C=C(Br)C=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O