2-(pyridin-2-ylmethylsulfanyl)-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(pyridin-2-ylmethylsulfanyl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(2-pyridylmethylsulfanyl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-(2-pyridinylmethylthio)-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(pyridin-2-ylmethylsulfanyl)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-(2-pyridylmethylthio)-3H-benzimidazole-5-carboxylic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H11N3O2S/c18-13(19)9-4-5-11-12(7-9)17-14(16-11)20-8-10-3-1-2-6-15-10/h1-7H,8H2,(H,16,17)(H,18,19)