(4S)-2-hexylsulfanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4S)-2-hexylsulfanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S)-2-hexylsulfanyl-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S)-2-(hexylthio)-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-hexylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S)-2-(hexylthio)-5-keto-4-p-cumenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)C(C)C)C(=O)CCC2

Isomeric SMILES

CCCCCCSC1=NC2=C([C@@H](C1C#N)C3=CC=C(C=C3)C(C)C)C(=O)CCC2

InChI

InChI=1S/C25H32N2OS/c1-4-5-6-7-15-29-25-20(16-26)23(19-13-11-18(12-14-19)17(2)3)24-21(27-25)9-8-10-22(24)28/h11-14,17,20,23H,4-10,15H2,1-3H3/t20?,23-/m1/s1