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

Systemtic Name: 2-[[4-(1-butoxyethoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylsulfanyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridinyl]methylthio]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[[4-(1-butoxyethoxy)-3-methylpyridin-2-yl]methylsulfanyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylthio]-6-methoxy-1H-benzimidazole Formula: C21H27N3O3S MolecularWeight: 401.52238

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-5-6-11-26-15(3)27-20-9-10-22-19(14(20)2)13-28-21-23-17-8-7-16(25-4)12-18(17)24-21/h7-10,12,15H,5-6,11,13H2,1-4H3,(H,23,24)