2-[[4-[(5,5-dimethyl-1,3-dioxan-2-yl)methoxy]-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole; methane

Systemtic Name: 2-[[4-[(5,5-dimethyl-1,3-dioxan-2-yl)methoxy]-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole; methane Openeye Name: 2-[[4-[(5,5-dimethyl-1,3-dioxan-2-yl)methoxy]-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole; methane CAS Name: 2-[[4-[(5,5-dimethyl-1,3-dioxan-2-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole; methane IUPAC Name: 2-[[4-[(5,5-dimethyl-1,3-dioxan-2-yl)methoxy]-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole; methane Traditional Name: 2-[[4-[(5,5-dimethyl-1,3-dioxan-2-yl)methoxy]-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole; methane Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC4OCC(CO4)(C)C

Isomeric SMILES

C.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC4OCC(CO4)(C)C

InChI

InChI=1S/C21H25N3O4S.CH4/c1-14-17(11-29(25)20-23-15-6-4-5-7-16(15)24-20)22-9-8-18(14)26-10-19-27-12-21(2,3)13-28-19;/h4-9,19H,10-13H2,1-3H3,(H,23,24);1H4