2-[[5,6-dideuterio-4-(3-methoxypropoxy)-3-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Systemtic Name: 2-[[5,6-dideuterio-4-(3-methoxypropoxy)-3-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Openeye Name: 2-[[5,6-dideuterio-4-(3-methoxypropoxy)-3-(trideuteriomethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole CAS Name: 2-[[5,6-dideuterio-4-(3-methoxypropoxy)-3-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: 2-[[5,6-dideuterio-4-(3-methoxypropoxy)-3-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Traditional Name: 2-[[5,6-dideuterio-4-(3-methoxypropoxy)-3-(trideuteriomethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole Formula: C18H21N3O4S MolecularWeight: 380.472849

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Descriptors Computed from Structure

Canonical SMILES:

COCCCOC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

[2H]C1=C(N=C(C(=C1OCCCOC)OC([2H])([2H])[2H])CS(=O)C2=NC3=CC=CC=C3N2)[2H]

InChI

InChI=1S/C18H21N3O4S/c1-23-10-5-11-25-16-8-9-19-15(17(16)24-2)12-26(22)18-20-13-6-3-4-7-14(13)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/i2D3,8D,9D