1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C17H16F3N3O3S2 MolecularWeight: 431.45245

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H16F3N3O3S2/c1-28(25,26)23-8-2-3-11-9-12(4-5-13(11)23)14(24)10-27-16-21-7-6-15(22-16)17(18,19)20/h4-7,9H,2-3,8,10H2,1H3