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

Systemtic Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(4-bromophenyl)-5-keto-7,7-dimethyl-2-(methylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C19H19BrN2OS MolecularWeight: 403.33596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2OS/c1-19(2)8-14-17(15(23)9-19)16(11-4-6-12(20)7-5-11)13(10-21)18(22-14)24-3/h4-7,16-17H,8-9H2,1-3H3/t16-,17?/m0/s1