4-[[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one

Systemtic Name: 4-[[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[2-[(2-fluorophenyl)methylthio]ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[2-[(2-fluorobenzyl)thio]ethylamino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C17H19FN2O2S MolecularWeight: 334.408363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCSCC2=CC=CC=C2F)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCSCC2=CC=CC=C2F)C1=O)CO

InChI

InChI=1S/C17H19FN2O2S/c1-12-17(22)15(14(10-21)8-20-12)9-19-6-7-23-11-13-4-2-3-5-16(13)18/h2-5,8-9,19,21H,6-7,10-11H2,1H3