2-[[4-(1-butoxyethoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-5,6-dimethyl-1H-benzimidazole

Systemtic Name: 2-[[4-(1-butoxyethoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-5,6-dimethyl-1H-benzimidazole Openeye Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylsulfanyl]-5,6-dimethyl-1H-benzimidazole CAS Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridinyl]methylthio]-5,6-dimethyl-1H-benzimidazole IUPAC Name: 2-[[4-(1-butoxyethoxy)-3-methylpyridin-2-yl]methylsulfanyl]-5,6-dimethyl-1H-benzimidazole Traditional Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylthio]-5,6-dimethyl-1H-benzimidazole Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C(=C3)C)C)C

Isomeric SMILES

CCCCOC(C)OC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C(=C3)C)C)C

InChI

InChI=1S/C22H29N3O2S/c1-6-7-10-26-17(5)27-21-8-9-23-20(16(21)4)13-28-22-24-18-11-14(2)15(3)12-19(18)25-22/h8-9,11-12,17H,6-7,10,13H2,1-5H3,(H,24,25)