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

Systemtic Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)thio]ethanone Formula: C25H24FNO3S MolecularWeight: 437.526363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=CC=C(C=C3)F)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=CC=C(C=C3)F)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H24FNO3S/c1-29-22-14-18-12-13-27(24(28)16-31-20-10-8-19(26)9-11-20)25(17-6-4-3-5-7-17)21(18)15-23(22)30-2/h3-11,14-15,25H,12-13,16H2,1-2H3