(2-carbamothioyl-5-methyl-pyrazol-3-yl) 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate

Systemtic Name: (2-carbamothioyl-5-methyl-pyrazol-3-yl) 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: (2-carbamothioyl-5-methyl-pyrazol-3-yl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid (2-carbamothioyl-5-methyl-3-pyrazolyl) ester IUPAC Name: (2-carbamothioyl-5-methylpyrazol-3-yl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dihydrobenzimidazole-5-sulfonic acid (5-methyl-2-thiocarbamoyl-pyrazol-3-yl) ester Formula: C12H11N5O4S2 MolecularWeight: 353.37684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)C(=S)N

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)C(=S)N

InChI

InChI=1S/C12H11N5O4S2/c1-6-4-10(17(16-6)11(13)22)21-23(19,20)7-2-3-8-9(5-7)15-12(18)14-8/h2-5H,1H3,(H2,13,22)(H2,14,15,18)