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

Systemtic Name: 1-(5-chloranyl-6-propylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(5-chloro-6-propylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid CAS Name: 1-(5-chloro-6-propylsulfonyl-1H-benzimidazol-2-yl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(5-chloro-6-propylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(5-chloro-6-propylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Formula: C14H13ClN4O4S MolecularWeight: 368.79542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O4S/c1-2-3-24(22,23)12-5-11-10(4-9(12)15)17-14(18-11)19-7-8(6-16-19)13(20)21/h4-7H,2-3H2,1H3,(H,17,18)(H,20,21)