1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone Openeye Name: 1-[4-(m-tolyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanone Traditional Name: 1-[4-(m-tolyl)piperazino]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O3S/c1-14-3-2-4-16(11-14)24-7-9-25(10-8-24)19(27)13-30-18-6-5-15(20(21,22)23)12-17(18)26(28)29/h2-6,11-12H,7-10,13H2,1H3