2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-(5-keto-3-methyl-2-pyrazolin-1-yl)-1,3-benzothiazole-5-carboxylic acid Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=NC3=C(S2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=NC3=C(S2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C12H9N3O3S/c1-6-4-10(16)15(14-6)12-13-8-5-7(11(17)18)2-3-9(8)19-12/h2-3,5H,4H2,1H3,(H,17,18)