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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-methyl-2-thienyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-methyl-2-thienyl)methylidene]hydrazide
SpectraBase Compound ID 5dUvJDVFaR7
InChI InChI=1S/C23H21N5OS2/c1-16-8-11-18(12-9-16)22-26-27-23(28(22)19-6-4-3-5-7-19)30-15-21(29)25-24-14-20-13-10-17(2)31-20/h3-14H,15H2,1-2H3,(H,25,29)/b24-14+
InChIKey ZHBIOIQOWZPISA-ZVHZXABRSA-N
Mol Weight 447.58 g/mol
Molecular Formula C23H21N5OS2
Exact Mass 447.118753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9WDxfod6gS
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-methyl-2-thienyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.118752663 u
Formula C23H21N5OS2
InChI InChI=1S/C23H21N5OS2/c1-16-8-11-18(12-9-16)22-26-27-23(28(22)19-6-4-3-5-7-19)30-15-21(29)25-24-14-20-13-10-17(2)31-20/h3-14H,15H2,1-2H3,(H,25,29)/b24-14+
InChIKey ZHBIOIQOWZPISA-ZVHZXABRSA-N
Molecular Weight 447.575 g/mol
SMILES N(\N=C\C=1SC(C)=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1=CC=CC=C1)=O