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

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(2-hydroxyethylsulfanyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(2-hydroxyethylthio)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-hydroxyethylsulfanyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(2-hydroxyethylthio)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C15H18F3N3O4S MolecularWeight: 393.38133

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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)CSCCO

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CSCCO

InChI

InChI=1S/C15H18F3N3O4S/c16-15(17,18)11-1-2-12(13(9-11)21(24)25)19-3-5-20(6-4-19)14(23)10-26-8-7-22/h1-2,9,22H,3-8,10H2