1-(5-chloranyl-6-methylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(5-chloranyl-6-methylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(5-chloro-6-methylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid CAS Name: 1-(5-chloro-6-methylsulfonyl-1H-benzimidazol-2-yl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(5-chloro-6-methylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(5-chloro-6-mesyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Formula: C12H9ClN4O4S MolecularWeight: 340.74226

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C2C(=C1)NC(=N2)N3C=C(C=N3)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C2C(=C1)NC(=N2)N3C=C(C=N3)C(=O)O)Cl

InChI

InChI=1S/C12H9ClN4O4S/c1-22(20,21)10-3-9-8(2-7(10)13)15-12(16-9)17-5-6(4-14-17)11(18)19/h2-5H,1H3,(H,15,16)(H,18,19)