3-[(3-isocyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[(3-isocyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-[(3-isocyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-methoxy-benzenesulfonamide CAS Name: 3-[(3-isocyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-methoxybenzenesulfonamide IUPAC Name: 3-[(3-isocyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxybenzenesulfonamide Traditional Name: 3-[(3-isocyano-5-keto-1-phenyl-2-pyrazolin-4-yl)azo]-4-methoxy-benzenesulfonamide Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)N=NC2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)N=NC2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-]

InChI

InChI=1S/C17H14N6O4S/c1-19-16-15(17(24)23(22-16)11-6-4-3-5-7-11)21-20-13-10-12(28(18,25)26)8-9-14(13)27-2/h3-10,15H,2H3,(H2,18,25,26)