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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(2-methyl-4-quinolyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(2-methyl-4-quinolinyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(2-methyl-4-quinolyl)butyramide Formula: C29H26N6OS MolecularWeight: 506.62134

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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(=NC4=CC=CC=C43)C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC(=NC4=CC=CC=C43)C)N)C#N

InChI

InChI=1S/C29H26N6OS/c1-4-18-10-12-19(13-11-18)26-21(15-30)27(32)35-29(22(26)16-31)37-25(5-2)28(36)34-24-14-17(3)33-23-9-7-6-8-20(23)24/h6-14,25H,4-5H2,1-3H3,(H2,32,35)(H,33,34,36)