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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
SpectraBase Compound ID GJL24BqRUa8
InChI InChI=1S/C20H20FN5O2S/c1-3-26-19(14-8-10-16(28-2)11-9-14)24-25-20(26)29-13-18(27)23-22-12-15-6-4-5-7-17(15)21/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-12+
InChIKey VDLWRNLIQYXGDJ-WSDLNYQXSA-N
Mol Weight 413.47 g/mol
Molecular Formula C20H20FN5O2S
Exact Mass 413.132174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPZwNazPaIH
Name 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.132174239 u
Formula C20H20FN5O2S
InChI InChI=1S/C20H20FN5O2S/c1-3-26-19(14-8-10-16(28-2)11-9-14)24-25-20(26)29-13-18(27)23-22-12-15-6-4-5-7-17(15)21/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-12+
InChIKey VDLWRNLIQYXGDJ-WSDLNYQXSA-N
Molecular Weight 413.471 g/mol
SMILES N(\N=C\C=1C(F)=CC=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)CC)=O