(2-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-(methylthio)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-25-17-5-3-2-4-16(17)18(22)20-12-10-19(11-13-20)14-6-8-15(9-7-14)21(23)24/h2-9H,10-13H2,1H3