2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-phenyl-acetamide Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C22H17N5OS/c1-14-7-9-15(10-8-14)20-17(11-23)21(25)27-22(18(20)12-24)29-13-19(28)26-16-5-3-2-4-6-16/h2-10H,13H2,1H3,(H2,25,27)(H,26,28)