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

Systemtic Name: 1-[5-chloranyl-6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-chloro-6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-chloro-6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-chloro-6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-chloro-6-(2-chlorobenzyl)sulfonyl-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C18H12Cl2N4O4S MolecularWeight: 451.28328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)C2=C(C=C3C(=C2)NC(=N3)N4C=C(C=N4)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)C2=C(C=C3C(=C2)NC(=N3)N4C=C(C=N4)C(=O)O)Cl)Cl

InChI

InChI=1S/C18H12Cl2N4O4S/c19-12-4-2-1-3-10(12)9-29(27,28)16-6-15-14(5-13(16)20)22-18(23-15)24-8-11(7-21-24)17(25)26/h1-8H,9H2,(H,22,23)(H,25,26)