2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-cyano-8-methyl-2-quinolyl)thio]-N-phenethyl-acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3OS/c1-15-6-5-9-17-12-18(13-22)21(24-20(15)17)26-14-19(25)23-11-10-16-7-3-2-4-8-16/h2-9,12H,10-11,14H2,1H3,(H,23,25)