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

Systemtic Name: 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[2-(methylthio)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[2-(methylthio)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C14H12N2O3S2 MolecularWeight: 320.38668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O3S2/c1-20-13-5-3-2-4-10(13)14-15-11-7-6-9(21(17,18)19)8-12(11)16-14/h2-8H,1H3,(H,15,16)(H,17,18,19)