4-[(1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-[(1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzenesulfonic acid CAS Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-yl)azo]besylic acid Formula: C11H11N5O4S2 MolecularWeight: 341.36614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C(=S)N

InChI

InChI=1S/C11H11N5O4S2/c1-6-9(10(17)16(15-6)11(12)21)14-13-7-2-4-8(5-3-7)22(18,19)20/h2-5,9H,1H3,(H2,12,21)(H,18,19,20)