2-(1H-benzimidazol-2-ylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)nicotinic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C=CC=N3)C(=O)O

InChI

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