(4-methylpiperazin-1-yl)-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[3-nitro-4-(4-pyridylmethylsulfanyl)phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[3-nitro-4-(pyridin-4-ylmethylthio)phenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: (4-methylpiperazino)-[3-nitro-4-(4-pyridylmethylthio)phenyl]methanone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=NC=C3)[N+](=O)[O-]

InChI

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