2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-3-yl-butanamide

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-3-yl-butanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-pyridyl)butanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-pyridinyl)butanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-3-ylbutanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-pyridyl)butyramide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN=CC=C1)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CN=CC=C1)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

InChI

InChI=1S/C25H24N4OS/c1-2-23(24(30)28-21-9-6-12-27-16-21)31-25-20(15-26)14-19-13-18(10-11-22(19)29-25)17-7-4-3-5-8-17/h3-9,12,14,16,18,23H,2,10-11,13H2,1H3,(H,28,30)