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

Systemtic Name: 2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole Openeye Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole CAS Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-6-(trideuteriomethoxy)-1H-benzimidazole IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole Traditional Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-6-(trideuteriomethoxy)-1H-benzimidazole Formula: C17H19N3O2S MolecularWeight: 332.435145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

[2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3C)OC)C

InChI

InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3