3-[6-(4-fluoranylphenoxy)pyridin-3-yl]-1-methyl-4-sulfanyl-pyrrolidin-2-one dihydrochloride

Systemtic Name: 3-[6-(4-fluoranylphenoxy)pyridin-3-yl]-1-methyl-4-sulfanyl-pyrrolidin-2-one dihydrochloride Openeye Name: 3-[6-(4-fluorophenoxy)-3-pyridyl]-1-methyl-4-sulfanyl-pyrrolidin-2-one dihydrochloride CAS Name: 3-[6-(4-fluorophenoxy)-3-pyridinyl]-4-mercapto-1-methyl-2-pyrrolidinone dihydrochloride IUPAC Name: 3-[6-(4-fluorophenoxy)pyridin-3-yl]-1-methyl-4-sulfanylpyrrolidin-2-one dihydrochloride Traditional Name: 3-[6-(4-fluorophenoxy)-3-pyridyl]-4-mercapto-1-methyl-2-pyrrolidone dihydrochloride Formula: C16H17Cl2FN2O2S MolecularWeight: 391.287783

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)F)S.Cl.Cl

Isomeric SMILES

CN1CC(C(C1=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)F)S.Cl.Cl

InChI

InChI=1S/C16H15FN2O2S.2ClH/c1-19-9-13(22)15(16(19)20)10-2-7-14(18-8-10)21-12-5-3-11(17)4-6-12;;/h2-8,13,15,22H,9H2,1H3;2*1H