4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-prop-2-enylsulfanyl-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-prop-2-enylsulfanyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-allylsulfanyl-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-(prop-2-enylthio)-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-prop-2-enylsulfanyl-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-(allylthio)-4-(4-bromophenyl)-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C21H19BrN2OS MolecularWeight: 427.35736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2OS/c1-4-9-26-20-15(12-23)18(13-5-7-14(22)8-6-13)19-16(24-20)10-21(2,3)11-17(19)25/h4-8H,1,9-11H2,2-3H3