3-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanyl]propanoate Openeye Name: 3-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoate CAS Name: 3-[(6-bromo-1H-benzimidazol-2-yl)thio]propanoate IUPAC Name: 3-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoate Traditional Name: 3-[(6-bromo-1H-benzimidazol-2-yl)thio]propionate Formula: C10H8BrN2O2S- MolecularWeight: 300.15172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)NC(=N2)SCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)NC(=N2)SCCC(=O)[O-]

InChI

InChI=1S/C10H9BrN2O2S/c11-6-1-2-7-8(5-6)13-10(12-7)16-4-3-9(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15)/p-1