1-[(4-methylsulfanylphenyl)methyl]-4-(6-nitropyridin-3-yl)piperazine

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(6-nitropyridin-3-yl)piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(6-nitro-3-pyridyl)piperazine CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(6-nitro-3-pyridinyl)piperazine IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(6-nitropyridin-3-yl)piperazine Traditional Name: 1-[4-(methylthio)benzyl]-4-(6-nitro-3-pyridyl)piperazine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2S/c1-24-16-5-2-14(3-6-16)13-19-8-10-20(11-9-19)15-4-7-17(18-12-15)21(22)23/h2-7,12H,8-11,13H2,1H3