[3-[(3-cyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl-methyl-carbamic acid

Systemtic Name: [3-[(3-cyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl-methyl-carbamic acid Openeye Name: [3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]sulfonyl-methyl-carbamic acid CAS Name: [3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]sulfonyl-methylcarbamic acid IUPAC Name: [3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl-methylcarbamic acid Traditional Name: [3-[(3-cyano-5-keto-1-phenyl-2-pyrazolin-4-yl)azo]phenyl]sulfonyl-methyl-carbamic acid Formula: C18H14N6O5S MolecularWeight: 426.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)O)S(=O)(=O)C1=CC=CC(=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CN(C(=O)O)S(=O)(=O)C1=CC=CC(=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H14N6O5S/c1-23(18(26)27)30(28,29)14-9-5-6-12(10-14)20-21-16-15(11-19)22-24(17(16)25)13-7-3-2-4-8-13/h2-10,16H,1H3,(H,26,27)