4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-2-(phenacylthio)-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-7,7-dimethyl-2-(phenacylthio)-6,8-dihydroquinoline-3-carbonitrile Formula: C28H27N3O2S MolecularWeight: 469.59788

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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=C(C=C4)N(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O2S/c1-28(2)14-22-26(23(32)15-28)25(19-10-12-20(13-11-19)31(3)4)21(16-29)27(30-22)34-17-24(33)18-8-6-5-7-9-18/h5-13H,14-15,17H2,1-4H3