3-ethanoyl-4-methylsulfanyl-2-oxidanylidene-1H-quinoline-8-carbonitrile

Systemtic Name: 3-ethanoyl-4-methylsulfanyl-2-oxidanylidene-1H-quinoline-8-carbonitrile Openeye Name: 3-acetyl-4-methylsulfanyl-2-oxo-1H-quinoline-8-carbonitrile CAS Name: 3-acetyl-4-(methylthio)-2-oxo-1H-quinoline-8-carbonitrile IUPAC Name: 3-acetyl-4-methylsulfanyl-2-oxo-1H-quinoline-8-carbonitrile Traditional Name: 3-acetyl-2-keto-4-(methylthio)-1H-quinoline-8-carbonitrile Formula: C13H10N2O2S MolecularWeight: 258.2957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC(=C2NC1=O)C#N)SC

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC(=C2NC1=O)C#N)SC

InChI

InChI=1S/C13H10N2O2S/c1-7(16)10-12(18-2)9-5-3-4-8(6-14)11(9)15-13(10)17/h3-5H,1-2H3,(H,15,17)