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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(2-methyl-4-quinolyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(2-methyl-4-quinolinyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(2-methyl-4-quinolyl)butyramide Formula: C30H28N6OS MolecularWeight: 520.64792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

InChI

InChI=1S/C30H28N6OS/c1-5-26(29(37)35-25-14-18(4)34-24-9-7-6-8-21(24)25)38-30-23(16-32)27(22(15-31)28(33)36-30)20-12-10-19(11-13-20)17(2)3/h6-14,17,26H,5H2,1-4H3,(H2,33,36)(H,34,35,37)