(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C17H17ClN4O3S MolecularWeight: 392.85988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN4O3S/c1-26-13-3-4-15(18)14(10-13)17(23)21-8-6-20(7-9-21)12-2-5-16(19-11-12)22(24)25/h2-5,10-11H,6-9H2,1H3