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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(thiophen-2-ylmethylsulfanyl)ethylamino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(2-thienylmethylsulfanyl)ethylamino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(thiophen-2-ylmethylthio)ethylamino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(thiophen-2-ylmethylsulfanyl)ethylamino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[2-(2-thenylthio)ethylamino]methylene]pyridin-3-one Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCSCC2=CC=CS2)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCSCC2=CC=CS2)C1=O)CO

InChI

InChI=1S/C15H18N2O2S2/c1-11-15(19)14(12(9-18)7-17-11)8-16-4-6-20-10-13-3-2-5-21-13/h2-3,5,7-8,16,18H,4,6,9-10H2,1H3