2-methylsulfanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyridine-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyridine-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(methylthio)nicotinamide Formula: C16H18N4O5S2 MolecularWeight: 410.46792

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S2/c1-26-16-12(4-3-7-19-16)15(21)18-9-8-17-13-6-5-11(27(2,24)25)10-14(13)20(22)23/h3-7,10,17H,8-9H2,1-2H3,(H,18,21)