4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-(phenacylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-bromophenyl)-5-keto-7,7-dimethyl-2-(phenacylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C26H23BrN2O2S MolecularWeight: 507.44202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Br)C(=O)C1)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/h3-11,23,29H,12-13,15H2,1-2H3