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

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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methyl-2-thienyl)methylidene]hydrazide
SpectraBase Compound ID J0slMY6wLkb
InChI InChI=1S/C23H21N5O2S2/c1-16-12-13-31-20(16)14-24-25-21(29)15-32-23-27-26-22(17-8-10-19(30-2)11-9-17)28(23)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,29)/b24-14+
InChIKey RVAGIYHXHBNCKZ-ZVHZXABRSA-N
Mol Weight 463.57 g/mol
Molecular Formula C23H21N5O2S2
Exact Mass 463.113667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXVtNgygRXT
Name Acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methyl-2-thienyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.113667282 u
Formula C23H21N5O2S2
InChI InChI=1S/C23H21N5O2S2/c1-16-12-13-31-20(16)14-24-25-21(29)15-32-23-27-26-22(17-8-10-19(30-2)11-9-17)28(23)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,29)/b24-14+
InChIKey RVAGIYHXHBNCKZ-ZVHZXABRSA-N
Molecular Weight 463.574 g/mol
SMILES N(\N=C\C1=C(C=CS1)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C1=CC=CC=C1)=O