1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanyl-2-nitro-phenyl)sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanyl-2-nitro-phenyl)sulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanyl-2-nitro-phenyl)sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-[[4-(methylthio)-2-nitrophenyl]thio]ethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanyl-2-nitrophenyl)sulfanylethanone Traditional Name: 1-(4-methylpiperazino)-2-[[4-(methylthio)-2-nitro-phenyl]thio]ethanone Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3S2/c1-15-5-7-16(8-6-15)14(18)10-22-13-4-3-11(21-2)9-12(13)17(19)20/h3-4,9H,5-8,10H2,1-2H3