3-[(6-azanyl-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonic acid

Systemtic Name: 3-[(6-azanyl-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonic acid Openeye Name: 3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonic acid CAS Name: 3-[(6-amino-1H-benzimidazol-2-yl)thio]-1-propanesulfonic acid IUPAC Name: 3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonic acid Traditional Name: 3-[(6-amino-1H-benzimidazol-2-yl)thio]propane-1-sulfonic acid Formula: C10H13N3O3S2 MolecularWeight: 287.35852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)NC(=N2)SCCCS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)NC(=N2)SCCCS(=O)(=O)O

InChI

InChI=1S/C10H13N3O3S2/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)