2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-4-yl-butanamide

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-4-yl-butanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-pyridyl)butanamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-pyridin-4-ylbutanamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-4-ylbutanamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-pyridyl)butyramide Formula: C20H22N4OS MolecularWeight: 366.47988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-3-18(19(25)23-16-6-8-22-9-7-16)26-20-15(12-21)11-14-10-13(2)4-5-17(14)24-20/h6-9,11,13,18H,3-5,10H2,1-2H3,(H,22,23,25)