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

Systemtic Name: 4-[(1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]naphthalene-1-sulfonic acid CAS Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]-1-naphthalenesulfonic acid IUPAC Name: 4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-[(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-yl)azo]naphthalene-1-sulfonic acid Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O)C(=S)N

InChI

InChI=1S/C15H13N5O4S2/c1-8-13(14(21)20(19-8)15(16)25)18-17-11-6-7-12(26(22,23)24)10-5-3-2-4-9(10)11/h2-7,13H,1H3,(H2,16,25)(H,22,23,24)