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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5OS/c1-15-4-7-18(8-5-15)23-20(13-26)24(28)30-25(21(23)14-27)32-11-10-22(31)29-19-9-6-16(2)17(3)12-19/h4-9,12H,10-11H2,1-3H3,(H2,28,30)(H,29,31)