4-(2-methylphenyl)-2-methylsulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 4-(2-methylphenyl)-2-methylsulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-methylsulfanyl-4-(o-tolyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 4-(2-methylphenyl)-2-(methylthio)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 4-(2-methylphenyl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 5-keto-2-(methylthio)-4-(o-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SC)C#N

Isomeric SMILES

CC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SC)C#N

InChI

InChI=1S/C18H18N2OS/c1-11-6-3-4-7-12(11)16-13(10-19)18(22-2)20-14-8-5-9-15(21)17(14)16/h3-4,6-7,16,20H,5,8-9H2,1-2H3