(3-fluorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-fluorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-fluorophenyl)-[4-[3-(2-furanylmethylthio)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-fluorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-fluorophenyl)-[4-[3-(2-furfurylthio)-4-nitro-phenyl]piperazino]methanone Formula: C22H20FN3O4S MolecularWeight: 441.475303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H20FN3O4S/c23-17-4-1-3-16(13-17)22(27)25-10-8-24(9-11-25)18-6-7-20(26(28)29)21(14-18)31-15-19-5-2-12-30-19/h1-7,12-14H,8-11,15H2