2-[(2,6-dimethylphenyl)sulfanylmethyl]-6-imidazol-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 2-[(2,6-dimethylphenyl)sulfanylmethyl]-6-imidazol-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 2-[(2,6-dimethylphenyl)sulfanylmethyl]-6-imidazol-1-yl-1H-benzimidazole dihydrochloride CAS Name: 2-[[(2,6-dimethylphenyl)thio]methyl]-6-(1-imidazolyl)-1H-benzimidazole dihydrochloride IUPAC Name: 2-[(2,6-dimethylphenyl)sulfanylmethyl]-6-imidazol-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 2-[[(2,6-dimethylphenyl)thio]methyl]-6-imidazol-1-yl-1H-benzimidazole dihydrochloride Formula: C19H20Cl2N4S MolecularWeight: 407.3599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SCC2=NC3=C(N2)C=C(C=C3)N4C=CN=C4.Cl.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)SCC2=NC3=C(N2)C=C(C=C3)N4C=CN=C4.Cl.Cl

InChI

InChI=1S/C19H18N4S.2ClH/c1-13-4-3-5-14(2)19(13)24-11-18-21-16-7-6-15(10-17(16)22-18)23-9-8-20-12-23;;/h3-10,12H,11H2,1-2H3,(H,21,22);2*1H