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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(C2C(=N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCCCCCSC1=C([C@H]([C@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N

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/h11-14,17,23-24H,4-10,15H2,1-3H3/t23-,24+/m1/s1