4-[3,5-dicyano-1-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-6-sulfanyl-pyridin-4-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[3,5-dicyano-1-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-6-sulfanyl-pyridin-4-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[3,5-dicyano-2-oxo-1-(p-tolylsulfonylamino)-6-sulfanyl-4-pyridyl]-N-hydroxy-benzeneamine oxide CAS Name: 4-[3,5-dicyano-2-mercapto-1-[(4-methylphenyl)sulfonylamino]-6-oxo-4-pyridinyl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[3,5-dicyano-1-[(4-methylphenyl)sulfonylamino]-2-oxo-6-sulfanylpyridin-4-yl]-N-hydroxybenzeneamine oxide Traditional Name: 4-[3,5-dicyano-2-keto-6-mercapto-1-(tosylamino)-4-pyridyl]-N-hydroxy-benzeneamine oxide Formula: C20H15N5O5S2 MolecularWeight: 469.4936

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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)[NH+](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)[NH+](O)[O-])C#N)S

InChI

InChI=1S/C20H15N5O5S2/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/h2-9,23,25,27,31H,1H3