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

Systemtic Name: (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-yl]methanone Openeye Name: [4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[4-nitro-3-(2-pyridinylthio)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-yl]methanone Traditional Name: [4-[4-nitro-3-(2-pyridylthio)phenyl]piperazino]-(p-tolyl)methanone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CC=N4

InChI

InChI=1S/C23H22N4O3S/c1-17-5-7-18(8-6-17)23(28)26-14-12-25(13-15-26)19-9-10-20(27(29)30)21(16-19)31-22-4-2-3-11-24-22/h2-11,16H,12-15H2,1H3