4-[(5-cyano-1,4-dimethyl-6-oxidanidyl-2-oxidanylidene-pyridin-3-yl)diazenyl]benzenesulfonate

Systemtic Name: 4-[(5-cyano-1,4-dimethyl-6-oxidanidyl-2-oxidanylidene-pyridin-3-yl)diazenyl]benzenesulfonate Openeye Name: 4-[(5-cyano-1,4-dimethyl-6-oxido-2-oxo-3-pyridyl)azo]benzenesulfonate CAS Name: 4-[(5-cyano-1,4-dimethyl-6-oxido-2-oxo-3-pyridinyl)azo]benzenesulfonate IUPAC Name: 4-[(5-cyano-1,4-dimethyl-6-oxido-2-oxopyridin-3-yl)diazenyl]benzenesulfonate Traditional Name: 4-[(5-cyano-2-keto-1,4-dimethyl-6-oxido-3-pyridyl)azo]besylate Formula: C14H10N4O5S-2 MolecularWeight: 346.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C#N)[O-])C)N=NC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C#N)[O-])C)N=NC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C14H12N4O5S/c1-8-11(7-15)13(19)18(2)14(20)12(8)17-16-9-3-5-10(6-4-9)24(21,22)23/h3-6,19H,1-2H3,(H,21,22,23)/p-2