(6S)-6-tert-butyl-2-phenethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (6S)-6-tert-butyl-2-phenethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (6S)-6-tert-butyl-2-phenethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (6S)-6-tert-butyl-2-(phenethylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (6S)-6-tert-butyl-2-phenethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (6S)-6-tert-butyl-2-(phenethylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H25F3N2S MolecularWeight: 418.51821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCCC3=CC=CC=C3)C#N)C(F)(F)F

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C(=C(C(=N2)SCCC3=CC=CC=C3)C#N)C(F)(F)F

InChI

InChI=1S/C23H25F3N2S/c1-22(2,3)16-9-10-19-17(13-16)20(23(24,25)26)18(14-27)21(28-19)29-12-11-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3/t16-/m0/s1