2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole dihydrochloride

Systemtic Name: 2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole dihydrochloride Openeye Name: 2-[[4-(2-furylmethylsulfanyl)-3-methyl-2-pyridyl]methylsulfanyl]-1H-benzimidazole dihydrochloride CAS Name: 2-[[4-(2-furanylmethylthio)-3-methyl-2-pyridinyl]methylthio]-1H-benzimidazole dihydrochloride IUPAC Name: 2-[[4-(furan-2-ylmethylsulfanyl)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole dihydrochloride Traditional Name: 2-[[4-(2-furfurylthio)-3-methyl-2-pyridyl]methylthio]-1H-benzimidazole dihydrochloride Formula: C19H19Cl2N3OS2 MolecularWeight: 440.40966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCC4=CC=CO4.Cl.Cl

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCC4=CC=CO4.Cl.Cl

InChI

InChI=1S/C19H17N3OS2.2ClH/c1-13-17(12-25-19-21-15-6-2-3-7-16(15)22-19)20-9-8-18(13)24-11-14-5-4-10-23-14;;/h2-10H,11-12H2,1H3,(H,21,22);2*1H