2-[(4-chloranylphenoxy)methyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole dihydrochloride

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole dihydrochloride Openeye Name: 2-[(4-chlorophenoxy)methyl]-6-(4-pyridylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 2-[(4-chlorophenoxy)methyl]-6-(pyridin-4-ylthio)-1H-benzimidazole dihydrochloride IUPAC Name: 2-[(4-chlorophenoxy)methyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole dihydrochloride Traditional Name: 2-[(4-chlorophenoxy)methyl]-6-(4-pyridylthio)-1H-benzimidazole dihydrochloride Formula: C19H16Cl3N3OS MolecularWeight: 440.77384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4)Cl.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1OCC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4)Cl.Cl.Cl

InChI

InChI=1S/C19H14ClN3OS.2ClH/c20-13-1-3-14(4-2-13)24-12-19-22-17-6-5-16(11-18(17)23-19)25-15-7-9-21-10-8-15;;/h1-11H,12H2,(H,22,23);2*1H