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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C4C3

InChI

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