1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]ethanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=CN3C4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=CN3C4=CC(=CC=C4)F)OC

InChI

InChI=1S/C22H22FN3O3S/c1-28-19-10-15-6-8-25(13-16(15)11-20(19)29-2)21(27)14-30-22-24-7-9-26(22)18-5-3-4-17(23)12-18/h3-5,7,9-12H,6,8,13-14H2,1-2H3