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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=CCCC(=O)C2C(C1C#N)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCCCSC1=NC2=CCCC(=O)[C@@H]2[C@H](C1C#N)C3=CC=C(C=C3)C(C)C

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/h9,11-14,17,20,23-24H,4-8,10,15H2,1-3H3/t20?,23-,24+/m0/s1