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

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O3S/c21-20(22,23)16-6-7-18(17(12-16)26(28)29)30-14-19(27)25-10-8-24(9-11-25)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2