(2-methylsulfanylpyridin-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-25-16-15(3-2-8-18-16)17(22)20-11-9-19(10-12-20)13-4-6-14(7-5-13)21(23)24/h2-8H,9-12H2,1H3