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

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

Systemtic Name:2-(methylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid
Openeye Name:2-(methylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid
CAS Name:2-[(methylthio)methyl]-3H-benzimidazole-5-sulfonic acid
IUPAC Name:2-(methylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid
Traditional Name:2-[(methylthio)methyl]-3H-benzimidazole-5-sulfonic acid
Formula: C9H10N2O3S2
MolecularWeight: 258.3173
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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O


Isomeric SMILES

CSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O


InChI

InChI=1S/C9H10N2O3S2/c1-15-5-9-10-7-3-2-6(16(12,13)14)4-8(7)11-9/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)


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