1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propan-1-one Formula: C18H17F3N2OS MolecularWeight: 366.40059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2OS/c1-12(25-16-7-6-15(10-22-16)18(19,20)21)17(24)23-9-8-13-4-2-3-5-14(13)11-23/h2-7,10,12H,8-9,11H2,1H3