1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O4S/c1-30-17-5-3-2-4-15(17)24-8-10-25(11-9-24)19(27)13-31-18-7-6-14(20(21,22)23)12-16(18)26(28)29/h2-7,12H,8-11,13H2,1H3