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N-(2,4-dimethylphenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(2,4-dimethylphenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 6OHxG3Znjm2
InChI InChI=1S/C24H22N4O2S/c1-16-12-13-20(17(2)14-16)25-22(30)15-31-24-27-26-23(19-10-6-7-11-21(19)29)28(24)18-8-4-3-5-9-18/h3-14,29H,15H2,1-2H3,(H,25,30)
InChIKey QBKNUERWGFFIJU-UHFFFAOYSA-N
Mol Weight 430.53 g/mol
Molecular Formula C24H22N4O2S
Exact Mass 430.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QJDv8fb0Q2
Name N-(2,4-Dimethylphenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.146347136 u
Formula C24H22N4O2S
InChI InChI=1S/C24H22N4O2S/c1-16-12-13-20(17(2)14-16)25-22(30)15-31-24-27-26-23(19-10-6-7-11-21(19)29)28(24)18-8-4-3-5-9-18/h3-14,29H,15H2,1-2H3,(H,25,30)
InChIKey QBKNUERWGFFIJU-UHFFFAOYSA-N
Molecular Weight 430.526 g/mol
SMILES N(C(CSC=1N(C(C2=C(C=CC=C2)O)=NN1)C1=CC=CC=C1)=O)C1=C(C=C(C=C1)C)C