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

Systemtic Name: 4-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 3-oxo-N-phenyl-4-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 4-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 3-keto-N-phenyl-4-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)CC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)CC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H21N5O2S/c1-17-9-11-20(12-10-17)29-23(18-6-5-13-25-15-18)27-28-24(29)32-16-21(30)14-22(31)26-19-7-3-2-4-8-19/h2-13,15H,14,16H2,1H3,(H,26,31)