1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C19H19F3N2O3S MolecularWeight: 412.42597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C19H19F3N2O3S/c1-26-15-7-12-5-6-24(10-13(12)8-16(15)27-2)18(25)11-28-17-4-3-14(9-23-17)19(20,21)22/h3-4,7-9H,5-6,10-11H2,1-2H3