1-methyl-2-methylsulfinyl-6-pyridin-2-yl-7-[2,2,2-tris(fluoranyl)ethoxy]benzimidazole hydrate

Systemtic Name: 1-methyl-2-methylsulfinyl-6-pyridin-2-yl-7-[2,2,2-tris(fluoranyl)ethoxy]benzimidazole hydrate Openeye Name: 1-methyl-2-methylsulfinyl-6-(2-pyridyl)-7-(2,2,2-trifluoroethoxy)benzimidazole hydrate CAS Name: 1-methyl-2-methylsulfinyl-6-(2-pyridinyl)-7-(2,2,2-trifluoroethoxy)benzimidazole hydrate IUPAC Name: 1-methyl-2-methylsulfinyl-6-pyridin-2-yl-7-(2,2,2-trifluoroethoxy)benzimidazole hydrate Traditional Name: 1-methyl-2-methylsulfinyl-6-(2-pyridyl)-7-(2,2,2-trifluoroethoxy)benzimidazole hydrate Formula: C16H16F3N3O3S MolecularWeight: 387.37675

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2OCC(F)(F)F)C3=CC=CC=N3)N=C1S(=O)C.O

Isomeric SMILES

CN1C2=C(C=CC(=C2OCC(F)(F)F)C3=CC=CC=N3)N=C1S(=O)C.O

InChI

InChI=1S/C16H14F3N3O2S.H2O/c1-22-13-12(21-15(22)25(2)23)7-6-10(11-5-3-4-8-20-11)14(13)24-9-16(17,18)19;/h3-8H,9H2,1-2H3;1H2