[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl thiomorpholine-4-carbodithioate

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl thiomorpholine-4-carbodithioate Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl thiomorpholine-4-carbodithioate CAS Name: 4-thiomorpholinecarbodithioic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl thiomorpholine-4-carbodithioate Traditional Name: thiomorpholine-4-carbodithioic acid (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl ester Formula: C13H18N2O2S3 MolecularWeight: 330.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CSC(=S)N2CCSCC2

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CSC(=S)N2CCSCC2

InChI

InChI=1S/C13H18N2O2S3/c1-9-12(17)11(7-16)10(6-14-9)8-20-13(18)15-2-4-19-5-3-15/h6,16-17H,2-5,7-8H2,1H3