7-methyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonic acid

Systemtic Name: 7-methyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonic acid Openeye Name: 7-methyl-2-thioxo-1,3-dihydrobenzimidazole-5-sulfonic acid CAS Name: 7-methyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonic acid IUPAC Name: 7-methyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonic acid Traditional Name: 7-methyl-2-thioxo-1,3-dihydrobenzimidazole-5-sulfonic acid Formula: C8H8N2O3S2 MolecularWeight: 244.29072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=S)N2)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC2=C1NC(=S)N2)S(=O)(=O)O

InChI

InChI=1S/C8H8N2O3S2/c1-4-2-5(15(11,12)13)3-6-7(4)10-8(14)9-6/h2-3H,1H3,(H2,9,10,14)(H,11,12,13)