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

Systemtic Name: (6S)-6-tert-butyl-2-prop-2-enylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (6S)-2-allylsulfanyl-6-tert-butyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (6S)-6-tert-butyl-2-(prop-2-enylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (6S)-6-tert-butyl-2-prop-2-enylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (6S)-2-(allylthio)-6-tert-butyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H21F3N2S MolecularWeight: 354.43295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC=C)C#N)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N2S/c1-5-8-24-16-13(10-22)15(18(19,20)21)12-9-11(17(2,3)4)6-7-14(12)23-16/h5,11H,1,6-9H2,2-4H3/t11-/m0/s1