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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(3,4-dimethylphenyl)butyramide Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC(=C(C=C3)C)C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC(=C(C=C3)C)C)N)C#N

InChI

InChI=1S/C27H27N5OS/c1-5-18-8-10-19(11-9-18)24-21(14-28)25(30)32-27(22(24)15-29)34-23(6-2)26(33)31-20-12-7-16(3)17(4)13-20/h7-13,23H,5-6H2,1-4H3,(H2,30,32)(H,31,33)