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acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID 8QMEPaGynjO
InChI InChI=1S/C25H23N5O2S/c1-18-12-14-21(15-13-18)30-24(19-8-4-3-5-9-19)28-29-25(30)33-17-23(31)27-26-16-20-10-6-7-11-22(20)32-2/h3-16H,17H2,1-2H3,(H,27,31)/b26-16+
InChIKey ZMMQUGVMBXFVIZ-WGOQTCKBSA-N
Mol Weight 457.55 g/mol
Molecular Formula C25H23N5O2S
Exact Mass 457.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bqaCKLrifh
Name Acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.157246173 u
Formula C25H23N5O2S
InChI InChI=1S/C25H23N5O2S/c1-18-12-14-21(15-13-18)30-24(19-8-4-3-5-9-19)28-29-25(30)33-17-23(31)27-26-16-20-10-6-7-11-22(20)32-2/h3-16H,17H2,1-2H3,(H,27,31)/b26-16+
InChIKey ZMMQUGVMBXFVIZ-WGOQTCKBSA-N
Molecular Weight 457.552 g/mol
SMILES N(\N=C\C=1C(OC)=CC=CC1)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C=1C=CC(=CC1)C)=O