3-(hydroxymethyl)-2-[(6-methylpyridin-2-yl)sulfanylmethyl]cyclopentan-1-one

Systemtic Name: 3-(hydroxymethyl)-2-[(6-methylpyridin-2-yl)sulfanylmethyl]cyclopentan-1-one Openeye Name: 3-(hydroxymethyl)-2-[(6-methyl-2-pyridyl)sulfanylmethyl]cyclopentanone CAS Name: 3-(hydroxymethyl)-2-[[(6-methyl-2-pyridinyl)thio]methyl]-1-cyclopentanone IUPAC Name: 3-(hydroxymethyl)-2-[(6-methylpyridin-2-yl)sulfanylmethyl]cyclopentan-1-one Traditional Name: 3-methylol-2-[[(6-methyl-2-pyridyl)thio]methyl]cyclopentanone Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)SCC2C(CCC2=O)CO

Isomeric SMILES

CC1=NC(=CC=C1)SCC2C(CCC2=O)CO

InChI

InChI=1S/C13H17NO2S/c1-9-3-2-4-13(14-9)17-8-11-10(7-15)5-6-12(11)16/h2-4,10-11,15H,5-8H2,1H3