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

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C19H17F3N4O5S MolecularWeight: 470.42229

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O5S/c20-19(21,22)13-1-6-16(17(11-13)26(30)31)23-7-9-24(10-8-23)18(27)12-32-15-4-2-14(3-5-15)25(28)29/h1-6,11H,7-10,12H2