1-(4-methylpiperazin-4-ium-1-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C16H18F3N4OS2+ MolecularWeight: 403.46553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C16H17F3N4OS2/c1-22-4-6-23(7-5-22)14(24)10-26-15-20-11(12-3-2-8-25-12)9-13(21-15)16(17,18)19/h2-3,8-9H,4-7,10H2,1H3/p+1