sodium 3-[(6-azanyl-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonate

Systemtic Name: sodium 3-[(6-azanyl-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonate Openeye Name: sodium 3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonate CAS Name: sodium 3-[(6-amino-1H-benzimidazol-2-yl)thio]-1-propanesulfonate IUPAC Name: sodium 3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonate Traditional Name: sodium 3-[(6-amino-1H-benzimidazol-2-yl)thio]propane-1-sulfonate Formula: C10H12N3NaO3S2 MolecularWeight: 309.34035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)NC(=N2)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1N)NC(=N2)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H13N3O3S2.Na/c11-7-2-3-8-9(6-7)13-10(12-8)17-4-1-5-18(14,15)16;/h2-3,6H,1,4-5,11H2,(H,12,13)(H,14,15,16);/q;+1/p-1