1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20N2OS/c1-15-12-20(22-19-9-5-4-8-18(15)19)25-14-21(24)23-11-10-16-6-2-3-7-17(16)13-23/h2-9,12H,10-11,13-14H2,1H3