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

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2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
SpectraBase Compound ID HU5a5ka7jgj
InChI InChI=1S/C22H15Cl3N4OS/c23-17-9-5-4-8-16(17)21-27-28-22(29(21)15-6-2-1-3-7-15)31-13-20(30)26-14-10-11-18(24)19(25)12-14/h1-12H,13H2,(H,26,30)
InChIKey WFFLJQKJYHWQAY-UHFFFAOYSA-N
Mol Weight 489.81 g/mol
Molecular Formula C22H15Cl3N4OS
Exact Mass 488.003215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FSZIEmU3E5
Name 2-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.003215392 u
Formula C22H15Cl3N4OS
InChI InChI=1S/C22H15Cl3N4OS/c23-17-9-5-4-8-16(17)21-27-28-22(29(21)15-6-2-1-3-7-15)31-13-20(30)26-14-10-11-18(24)19(25)12-14/h1-12H,13H2,(H,26,30)
InChIKey WFFLJQKJYHWQAY-UHFFFAOYSA-N
Molecular Weight 489.808 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C1=CC=CC=C1)=O)C1=CC(Cl)=C(C=C1)Cl