(4-chlorophenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[4-nitro-3-(2-pyridinylthio)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-[4-nitro-3-(2-pyridylthio)phenyl]piperazino]methanone Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O3S/c23-17-6-4-16(5-7-17)22(28)26-13-11-25(12-14-26)18-8-9-19(27(29)30)20(15-18)31-21-3-1-2-10-24-21/h1-10,15H,11-14H2