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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(2-methyl-4-quinolyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(2-methyl-4-quinolinyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-(2-methyl-4-quinolyl)propionamide Formula: C27H22N6OS MolecularWeight: 478.56818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=CC(=NC4=CC=CC=C43)C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=CC(=NC4=CC=CC=C43)C)N)C#N

InChI

InChI=1S/C27H22N6OS/c1-15-8-10-18(11-9-15)24-20(13-28)25(30)33-27(21(24)14-29)35-17(3)26(34)32-23-12-16(2)31-22-7-5-4-6-19(22)23/h4-12,17H,1-3H3,(H2,30,33)(H,31,32,34)