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

Systemtic Name: 2-[(3-cyano-2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethanamide Openeye Name: 2-[[3-cyano-2-(4-pyridyl)-5,6,7,8-tetrahydroquinolin-4-yl]sulfanyl]acetamide CAS Name: 2-[(3-cyano-2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-4-yl)thio]acetamide IUPAC Name: 2-[(3-cyano-2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]acetamide Traditional Name: 2-[[3-cyano-2-(4-pyridyl)-5,6,7,8-tetrahydroquinolin-4-yl]thio]acetamide Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)C3=CC=NC=C3)C#N)SCC(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)C3=CC=NC=C3)C#N)SCC(=O)N

InChI

InChI=1S/C17H16N4OS/c18-9-13-16(11-5-7-20-8-6-11)21-14-4-2-1-3-12(14)17(13)23-10-15(19)22/h5-8H,1-4,10H2,(H2,19,22)