4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 3-allyl-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-(phenacylthio)-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 3-allyl-4-(4-bromophenyl)-5-keto-7,7-dimethyl-2-(phenacylthio)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H27BrN2O2S MolecularWeight: 547.50588

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H27BrN2O2S/c1-4-14-29(18-31)26(20-10-12-21(30)13-11-20)25-22(15-28(2,3)16-23(25)33)32-27(29)35-17-24(34)19-8-6-5-7-9-19/h4-13,26H,1,14-17H2,2-3H3