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

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-mesylpiperazino)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C16H17F3N4O3S2 MolecularWeight: 434.45639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N4O3S2/c1-28(25,26)23-8-6-22(7-9-23)13(24)10-27-14-11-4-2-3-5-12(11)20-15(21-14)16(17,18)19/h2-5H,6-10H2,1H3