2-(4-methylphenyl)sulfanyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(6-nitro-3-pyridyl)piperazino]-2-(p-tolylthio)ethanone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-14-2-5-16(6-3-14)26-13-18(23)21-10-8-20(9-11-21)15-4-7-17(19-12-15)22(24)25/h2-7,12H,8-11,13H2,1H3