S-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl] benzenecarbothioate Openeye Name: S-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ester IUPAC Name: S-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl] ester Formula: C15H15NO3S MolecularWeight: 289.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO3S/c1-10-14(18)13(8-17)12(7-16-10)9-20-15(19)11-5-3-2-4-6-11/h2-7,17-18H,8-9H2,1H3