2,4-dimethyl-3-methylsulfanyl-isoquinolin-1-one

Systemtic Name: 2,4-dimethyl-3-methylsulfanyl-isoquinolin-1-one Openeye Name: 2,4-dimethyl-3-methylsulfanyl-isoquinolin-1-one CAS Name: 2,4-dimethyl-3-(methylthio)-1-isoquinolinone IUPAC Name: 2,4-dimethyl-3-methylsulfanylisoquinolin-1-one Traditional Name: 2,4-dimethyl-3-(methylthio)isocarbostyril Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)C2=CC=CC=C12)C)SC

Isomeric SMILES

CC1=C(N(C(=O)C2=CC=CC=C12)C)SC

InChI

InChI=1S/C12H13NOS/c1-8-9-6-4-5-7-10(9)11(14)13(2)12(8)15-3/h4-7H,1-3H3