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

Systemtic Name: 2-[[4-(1-butoxyethoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[4-(1-butoxyethoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylthio]-1H-benzimidazole Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCCCOC(C)OC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C20H25N3O2S/c1-4-5-12-24-15(3)25-19-10-11-21-18(14(19)2)13-26-20-22-16-8-6-7-9-17(16)23-20/h6-11,15H,4-5,12-13H2,1-3H3,(H,22,23)