5-(1H-benzimidazol-2-ylsulfanyl)pentanoate

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanyl)pentanoate Openeye Name: 5-(1H-benzimidazol-2-ylsulfanyl)pentanoate CAS Name: 5-(1H-benzimidazol-2-ylthio)pentanoate IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanyl)pentanoate Traditional Name: 5-(1H-benzimidazol-2-ylthio)valerate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCCC(=O)[O-]

InChI

InChI=1S/C12H14N2O2S/c15-11(16)7-3-4-8-17-12-13-9-5-1-2-6-10(9)14-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)(H,15,16)/p-1