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

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylcarbothioylsulfanyl)propane-1-sulfonate Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylcarbothioylsulfanyl)propane-1-sulfonate CAS Name: 3-[[(1H-benzimidazol-2-ylthio)-sulfanylidenemethyl]thio]-1-propanesulfonate IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylcarbothioylsulfanyl)propane-1-sulfonate Traditional Name: 3-[(1H-benzimidazol-2-ylthio)carbothioylthio]propane-1-sulfonate Formula: C11H11N2O3S4- MolecularWeight: 347.47664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3S4/c14-20(15,16)7-3-6-18-11(17)19-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15,16)/p-1