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

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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(methylthio)phenyl]methylidene]hydrazide
SpectraBase Compound ID AcNBSq0uDkx
InChI InChI=1S/C25H23N5O2S2/c1-32-21-12-10-19(11-13-21)24-28-29-25(30(24)20-6-4-3-5-7-20)34-17-23(31)27-26-16-18-8-14-22(33-2)15-9-18/h3-16H,17H2,1-2H3,(H,27,31)/b26-16+
InChIKey OVROZKDBVHTQKL-WGOQTCKBSA-N
Mol Weight 489.61 g/mol
Molecular Formula C25H23N5O2S2
Exact Mass 489.129317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDswrdUWP3w
Name Acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(methylthio)phenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.129317347 u
Formula C25H23N5O2S2
InChI InChI=1S/C25H23N5O2S2/c1-32-21-12-10-19(11-13-21)24-28-29-25(30(24)20-6-4-3-5-7-20)34-17-23(31)27-26-16-18-8-14-22(33-2)15-9-18/h3-16H,17H2,1-2H3,(H,27,31)/b26-16+
InChIKey OVROZKDBVHTQKL-WGOQTCKBSA-N
Molecular Weight 489.612 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)SC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C=1C=CC=CC1)=O