2-(1H-benzimidazol-2-ylsulfanyl)butanoic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)butanoic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)butanoic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)butanoic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)butanoic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)butyric acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C11H12N2O2S/c1-2-9(10(14)15)16-11-12-7-5-3-4-6-8(7)13-11/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)