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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(2-methylquinolin-4-yl)propanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(2-methyl-4-quinolyl)propanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(2-methyl-4-quinolinyl)propanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(2-methylquinolin-4-yl)propanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(2-methyl-4-quinolyl)propionamide Formula: C26H20N6OS MolecularWeight: 464.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H20N6OS/c1-15-12-22(18-10-6-7-11-21(18)30-15)31-25(33)16(2)34-26-20(14-28)23(17-8-4-3-5-9-17)19(13-27)24(29)32-26/h3-12,16H,1-2H3,(H2,29,32)(H,30,31,33)