magnesium 5-[bis(fluoranyl)methoxy]-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide

Systemtic Name: magnesium 5-[bis(fluoranyl)methoxy]-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide Openeye Name: magnesium 5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-ide CAS Name: magnesium 5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide IUPAC Name: magnesium 5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide Traditional Name: magnesium 5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-ide Formula: C32H28F4MgN6O8S2 MolecularWeight: 789.028733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Mg+2]

Isomeric SMILES

COC1=C(C(=NC=C1)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.COC1=C(C(=NC=C1)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Mg+2]

InChI

InChI=1S/2C16H14F2N3O4S.Mg/c2*1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h2*3-7,15H,8H2,1-2H3;/q2*-1;+2/t2*26-;/m00./s1