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

Systemtic Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(4-bromophenyl)-2-mercapto-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(4-bromophenyl)-5-keto-2-mercapto-7,7-dimethyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17BrN2OS MolecularWeight: 389.30938

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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)S)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2OS/c1-18(2)7-13-16(14(22)8-18)15(12(9-20)17(23)21-13)10-3-5-11(19)6-4-10/h3-6,15-16,23H,7-8H2,1-2H3/t15-,16?/m0/s1