4-(hydroxymethyl)-2-methyl-3-methylsulfanyl-isoquinolin-1-one

Systemtic Name: 4-(hydroxymethyl)-2-methyl-3-methylsulfanyl-isoquinolin-1-one Openeye Name: 4-(hydroxymethyl)-2-methyl-3-methylsulfanyl-isoquinolin-1-one CAS Name: 4-(hydroxymethyl)-2-methyl-3-(methylthio)-1-isoquinolinone IUPAC Name: 4-(hydroxymethyl)-2-methyl-3-methylsulfanylisoquinolin-1-one Traditional Name: 2-methyl-4-methylol-3-(methylthio)isocarbostyril Formula: C12H13NO2S MolecularWeight: 235.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)CO)SC

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)CO)SC

InChI

InChI=1S/C12H13NO2S/c1-13-11(15)9-6-4-3-5-8(9)10(7-14)12(13)16-2/h3-6,14H,7H2,1-2H3