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

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(2-ethylpiperidino)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C18H20F3N3OS MolecularWeight: 383.43111

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H20F3N3OS/c1-2-12-7-5-6-10-24(12)15(25)11-26-16-13-8-3-4-9-14(13)22-17(23-16)18(19,20)21/h3-4,8-9,12H,2,5-7,10-11H2,1H3