2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-dimethylphenyl)acetamide Formula: C23H20ClN5OS MolecularWeight: 449.9558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=N4)C

InChI

InChI=1S/C23H20ClN5OS/c1-15-6-9-18(13-16(15)2)26-21(30)14-31-23-28-27-22(20-5-3-4-12-25-20)29(23)19-10-7-17(24)8-11-19/h3-13H,14H2,1-2H3,(H,26,30)