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acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-1-(4-hydroxyphenyl)ethylidene]hydrazide
SpectraBase Compound ID 67qZK6dNKlU
InChI InChI=1S/C20H21N5O2S/c1-3-25-19(16-7-5-4-6-8-16)23-24-20(25)28-13-18(27)22-21-14(2)15-9-11-17(26)12-10-15/h4-12,26H,3,13H2,1-2H3,(H,22,27)/b21-14+
InChIKey YKEHEKSVOVUPLA-KGENOOAVSA-N
Mol Weight 395.48 g/mol
Molecular Formula C20H21N5O2S
Exact Mass 395.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaUcAcoNGOb
Name Acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-1-(4-hydroxyphenyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.141596108 u
Formula C20H21N5O2S
InChI InChI=1S/C20H21N5O2S/c1-3-25-19(16-7-5-4-6-8-16)23-24-20(25)28-13-18(27)22-21-14(2)15-9-11-17(26)12-10-15/h4-12,26H,3,13H2,1-2H3,(H,22,27)/b21-14+
InChIKey YKEHEKSVOVUPLA-KGENOOAVSA-N
Molecular Weight 395.481 g/mol
SMILES N(\N=C\(C=1C=CC(=CC1)O)C)C(CSC=1N(C(=NN1)C=1C=CC=CC1)CC)=O