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

Systemtic Name: sodium 5-[bis(fluoranyl)methoxy]-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide hydrate Openeye Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-ide hydrate CAS Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide hydrate IUPAC Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide hydrate Traditional Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-ide hydrate Formula: C16H16F2N3NaO5S MolecularWeight: 423.366916

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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.O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H14F2N3O4S.Na.H2O/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;;/h3-7,15H,8H2,1-2H3;;1H2/q-1;+1;