2-(3-methylsulfanylpropyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(3-methylsulfanylpropyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(3-methylsulfanylpropyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[3-(methylthio)propyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(3-methylsulfanylpropyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[3-(methylthio)propyl]-3H-benzimidazole-5-sulfonic acid Formula: C11H14N2O3S2 MolecularWeight: 286.37046

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CSCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H14N2O3S2/c1-17-6-2-3-11-12-9-5-4-8(18(14,15)16)7-10(9)13-11/h4-5,7H,2-3,6H2,1H3,(H,12,13)(H,14,15,16)