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acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(3-pyridinyl)ethylidene]hydrazide
SpectraBase Compound ID F83k9C7PhbR
InChI InChI=1S/C25H24N6O3S/c1-17(19-8-7-13-26-15-19)27-28-23(32)16-35-25-30-29-24(31(25)20-9-5-4-6-10-20)18-11-12-21(33-2)22(14-18)34-3/h4-15H,16H2,1-3H3,(H,28,32)/b27-17+
InChIKey ARTLBEYBRGRGEU-WPWMEQJKSA-N
Mol Weight 488.57 g/mol
Molecular Formula C25H24N6O3S
Exact Mass 488.16306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uG2CugjovD
Name Acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(3-pyridinyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.163059828 u
Formula C25H24N6O3S
InChI InChI=1S/C25H24N6O3S/c1-17(19-8-7-13-26-15-19)27-28-23(32)16-35-25-30-29-24(31(25)20-9-5-4-6-10-20)18-11-12-21(33-2)22(14-18)34-3/h4-15H,16H2,1-3H3,(H,28,32)/b27-17+
InChIKey ARTLBEYBRGRGEU-WPWMEQJKSA-N
Molecular Weight 488.566 g/mol
SMILES N(\N=C\(C1=CN=CC=C1)C)C(CSC=1N(C(=NN1)C1=CC(OC)=C(C=C1)OC)C1=CC=CC=C1)=O