7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-4-phenyl-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-4-phenyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 7,7-dimethyl-5-oxo-2-phenacylsulfanyl-4-phenyl-6,8-dihydroquinoline-3-carbonitrile CAS Name: 7,7-dimethyl-5-oxo-2-(phenacylthio)-4-phenyl-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 7,7-dimethyl-5-oxo-2-phenacylsulfanyl-4-phenyl-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 5-keto-7,7-dimethyl-2-(phenacylthio)-4-phenyl-6,8-dihydroquinoline-3-carbonitrile Formula: C26H22N2O2S MolecularWeight: 426.53008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CC=C4)C

InChI

InChI=1S/C26H22N2O2S/c1-26(2)13-20-24(21(29)14-26)23(18-11-7-4-8-12-18)19(15-27)25(28-20)31-16-22(30)17-9-5-3-6-10-17/h3-12H,13-14,16H2,1-2H3