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

Systemtic Name: 4-[[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[[2-[(5-bromo-2-thienyl)methylsulfanyl]ethylamino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[2-[(5-bromo-2-thiophenyl)methylthio]ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[2-[(5-bromo-2-thienyl)methylthio]ethylamino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C15H17BrN2O2S2 MolecularWeight: 401.34168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCSCC2=CC=C(S2)Br)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCSCC2=CC=C(S2)Br)C1=O)CO

InChI

InChI=1S/C15H17BrN2O2S2/c1-10-15(20)13(11(8-19)6-18-10)7-17-4-5-21-9-12-2-3-14(16)22-12/h2-3,6-7,17,19H,4-5,8-9H2,1H3