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

Systemtic Name: 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-5,6-dimethyl-1H-benzimidazole Openeye Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfanyl]-5,6-dimethyl-1H-benzimidazole CAS Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylthio]-5,6-dimethyl-1H-benzimidazole IUPAC Name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-5,6-dimethyl-1H-benzimidazole Traditional Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylthio]-5,6-dimethyl-1H-benzimidazole Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC3=NC=CC(=C3C)OCCCOC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC3=NC=CC(=C3C)OCCCOC

InChI

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