1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,8-dimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,8-dimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,8-dimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,8-dimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,8-dimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,8-dimethyl-2-quinolyl)thio]ethanone Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H22N2OS/c1-15-6-5-9-18-12-16(2)22(23-21(15)18)26-14-20(25)24-11-10-17-7-3-4-8-19(17)13-24/h3-9,12H,10-11,13-14H2,1-2H3