1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C16H14F3N3OS MolecularWeight: 353.36207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C16H14F3N3OS/c17-16(18,19)13-5-7-20-15(21-13)24-10-14(23)22-8-6-11-3-1-2-4-12(11)9-22/h1-5,7H,6,8-10H2