1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(3-methyl-1-piperidinyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(3-methylpiperidino)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C17H18F3N3OS MolecularWeight: 369.40453

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

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