(4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-(phenacylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(4-bromophenyl)-5-keto-7,7-dimethyl-2-(phenacylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C26H23BrN2O2S MolecularWeight: 507.44202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=C(C(C2C(=O)C1)C3=CC=C(C=C3)Br)C#N)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=NC(=C([C@@H](C2C(=O)C1)C3=CC=C(C=C3)Br)C#N)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H23BrN2O2S/c1-26(2)12-20-24(21(30)13-26)23(17-8-10-18(27)11-9-17)19(14-28)25(29-20)32-15-22(31)16-6-4-3-5-7-16/h3-11,23-24H,12-13,15H2,1-2H3/t23-,24?/m0/s1