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

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2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
SpectraBase Compound ID K8QfAy6stoO
InChI InChI=1S/C24H21ClN4OS/c1-16-12-13-17(2)21(14-16)26-22(30)15-31-24-28-27-23(19-10-6-7-11-20(19)25)29(24)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey BFVHJKNUGVWAGO-UHFFFAOYSA-N
Mol Weight 448.97 g/mol
Molecular Formula C24H21ClN4OS
Exact Mass 448.11246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rA6reEiL5p
Name 2-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.112460185 u
Formula C24H21ClN4OS
InChI InChI=1S/C24H21ClN4OS/c1-16-12-13-17(2)21(14-16)26-22(30)15-31-24-28-27-23(19-10-6-7-11-20(19)25)29(24)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey BFVHJKNUGVWAGO-UHFFFAOYSA-N
Molecular Weight 448.972 g/mol
SMILES N(C1=C(C=CC(=C1)C)C)C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C1=CC=CC=C1)=O