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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(phenylmethylsulfanyl)ethylamino]methylidene]pyridin-3-one Openeye Name: 4-[(2-benzylsulfanylethylamino)methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(phenylmethylthio)ethylamino]methylidene]-3-pyridinone IUPAC Name: 4-[(2-benzylsulfanylethylamino)methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[2-(benzylthio)ethylamino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCSCC2=CC=CC=C2)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCSCC2=CC=CC=C2)C1=O)CO

InChI

InChI=1S/C17H20N2O2S/c1-13-17(21)16(15(11-20)9-19-13)10-18-7-8-22-12-14-5-3-2-4-6-14/h2-6,9-10,18,20H,7-8,11-12H2,1H3