2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

InChI

InChI=1S/C24H23N5OS/c1-3-21(23(30)26-19-12-5-4-6-13-19)31-24-28-27-22(18-11-9-15-25-16-18)29(24)20-14-8-7-10-17(20)2/h4-16,21H,3H2,1-2H3,(H,26,30)