2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-furoic acid Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=CO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=CO3)C(=O)O

InChI

InChI=1S/C13H10N2O3S/c16-12(17)8-5-6-18-11(8)7-19-13-14-9-3-1-2-4-10(9)15-13/h1-6H,7H2,(H,14,15)(H,16,17)