2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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