N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxidanylidene-6-sulfanyl-pyridin-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxidanylidene-6-sulfanyl-pyridin-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide CAS Name: N-[3,5-dicyano-2-mercapto-4-(4-nitrophenyl)-6-oxo-1-pyridinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-sulfanylpyridin-1-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3,5-dicyano-2-keto-6-mercapto-4-(4-nitrophenyl)-1-pyridyl]-4-methyl-benzenesulfonamide Formula: C20H13N5O5S2 MolecularWeight: 467.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)S

InChI

InChI=1S/C20H13N5O5S2/c1-12-2-8-15(9-3-12)32(29,30)23-24-19(26)16(10-21)18(17(11-22)20(24)31)13-4-6-14(7-5-13)25(27)28/h2-9,23,31H,1H3