2-(phenylsulfonylmethyl)-6-pyridin-4-ylsulfanyl-1H-benzimidazole dihydrochloride

Systemtic Name: 2-(phenylsulfonylmethyl)-6-pyridin-4-ylsulfanyl-1H-benzimidazole dihydrochloride Openeye Name: 2-(benzenesulfonylmethyl)-6-(4-pyridylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 2-(benzenesulfonylmethyl)-6-(pyridin-4-ylthio)-1H-benzimidazole dihydrochloride IUPAC Name: 2-(benzenesulfonylmethyl)-6-pyridin-4-ylsulfanyl-1H-benzimidazole dihydrochloride Traditional Name: 2-(besylmethyl)-6-(4-pyridylthio)-1H-benzimidazole dihydrochloride Formula: C19H17Cl2N3O2S2 MolecularWeight: 454.39318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C19H15N3O2S2.2ClH/c23-26(24,16-4-2-1-3-5-16)13-19-21-17-7-6-15(12-18(17)22-19)25-14-8-10-20-11-9-14;;/h1-12H,13H2,(H,21,22);2*1H