2-(1-methylpyrazol-4-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(1-methylpyrazol-4-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(1-methylpyrazol-4-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(1-methyl-4-pyrazolyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(1-methylpyrazol-4-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1,3-triketo-2-(1-methylpyrazol-4-yl)-1,2-benzothiazole-6-carboxylic acid Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C12H9N3O5S/c1-14-6-8(5-13-14)15-11(16)9-3-2-7(12(17)18)4-10(9)21(15,19)20/h2-6H,1H3,(H,17,18)