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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(m-tolyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(3-methylphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-(m-tolyl)butyramide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C25H23N5OS/c1-4-21(24(31)29-18-7-5-6-16(3)12-18)32-25-20(14-27)22(19(13-26)23(28)30-25)17-10-8-15(2)9-11-17/h5-12,21H,4H2,1-3H3,(H2,28,30)(H,29,31)