1-[(2S)-2-methylpiperidin-1-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C17H18F3N3OS MolecularWeight: 369.40453

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H18F3N3OS/c1-11-6-4-5-9-23(11)14(24)10-25-15-12-7-2-3-8-13(12)21-16(22-15)17(18,19)20/h2-3,7-8,11H,4-6,9-10H2,1H3/t11-/m0/s1