2-[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanylmethyl]pyridine-3-carboxylic acid CAS Name: 2-[[(5,6-dichloro-1H-benzimidazol-2-yl)thio]methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanylmethyl]pyridine-3-carboxylic acid Traditional Name: 2-[[(5,6-dichloro-1H-benzimidazol-2-yl)thio]methyl]nicotinic acid Formula: C14H9Cl2N3O2S MolecularWeight: 354.21116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSC2=NC3=CC(=C(C=C3N2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)CSC2=NC3=CC(=C(C=C3N2)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H9Cl2N3O2S/c15-8-4-10-11(5-9(8)16)19-14(18-10)22-6-12-7(13(20)21)2-1-3-17-12/h1-5H,6H2,(H,18,19)(H,20,21)