sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-2,3-dihydro-1H-1,3-benzodiazol-1-ide hydrate

CAS: 164579-32-2

Formula: C16H18F2N3NaO5S

SMILES: O.[Na+].COC1=CC=NC(CS(=O)C2NC3=CC(OC(F)F)=CC=C3[N-]2)=C1OC

IUPAC: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-2,3-dihydro-1H-1,3-benzodiazol-1-ide hydrate

InChI: InChI=1/C16H16F2N3O4S.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;;/h3-7,15-16,21H,8H2,1-2H3;;1H2/q-1;+1;

Composition: C (45.18%), H (4.27%), F (8.93%), N (9.88%), Na (5.40%), O (18.81%), S (7.54%)

Molar Mass: 425.38

Atom Count: 46

Heavy Atom Count: 28