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

Systemtic Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C25H23F3N2O3S MolecularWeight: 488.52193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23F3N2O3S/c1-32-20-12-17-10-11-30(23(31)15-34-22-9-8-18(14-29-22)25(26,27)28)24(16-6-4-3-5-7-16)19(17)13-21(20)33-2/h3-9,12-14,24H,10-11,15H2,1-2H3