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

Systemtic Name: (4-chlorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[3-(2-furanylmethylthio)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-[3-(2-furfurylthio)-4-nitro-phenyl]piperazino]methanone Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4S/c23-17-5-3-16(4-6-17)22(27)25-11-9-24(10-12-25)18-7-8-20(26(28)29)21(14-18)31-15-19-2-1-13-30-19/h1-8,13-14H,9-12,15H2