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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C17H17F3N4O2S MolecularWeight: 398.40269

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2S/c1-11(25)23-6-8-24(9-7-23)14(26)10-27-15-12-4-2-3-5-13(12)21-16(22-15)17(18,19)20/h2-5H,6-10H2,1H3