methanesulfonate; 5-pyridin-4-yl-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: methanesulfonate; 5-pyridin-4-yl-1,3-dihydrobenzimidazole-2-thione Openeye Name: methanesulfonate; 5-(4-pyridyl)-1,3-dihydrobenzimidazole-2-thione CAS Name: methanesulfonate; 5-pyridin-4-yl-1,3-dihydrobenzimidazole-2-thione IUPAC Name: methanesulfonate; 5-pyridin-4-yl-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-(4-pyridyl)-1,3-dihydrobenzimidazole-2-thione mesylate Formula: C13H12N3O3S2- MolecularWeight: 322.38268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC2=C(C=C1C3=CC=NC=C3)NC(=S)N2

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC2=C(C=C1C3=CC=NC=C3)NC(=S)N2

InChI

InChI=1S/C12H9N3S.CH4O3S/c16-12-14-10-2-1-9(7-11(10)15-12)8-3-5-13-6-4-8;1-5(2,3)4/h1-7H,(H2,14,15,16);1H3,(H,2,3,4)/p-1