1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-3-(phenylthio)propan-1-one Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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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)CCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCSC3=CC=CC=C3

InChI

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