3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate CAS Name: 3-(1H-benzimidazol-2-ylthio)-1-propanesulfonate IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate Traditional Name: 3-(1H-benzimidazol-2-ylthio)propane-1-sulfonate Formula: C10H11N2O3S2- MolecularWeight: 271.33594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3S2/c13-17(14,15)7-3-6-16-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14,15)/p-1