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

Systemtic Name: (4R,4aS)-2-butylsulfanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4R,4aS)-2-butylsulfanyl-4-(4-isopropylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4R,4aS)-2-(butylthio)-5-oxo-4-(4-propan-2-ylphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R,4aS)-2-butylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4R,4aS)-2-(butylthio)-5-keto-4-p-cumenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(C2C(=N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCCCSC1=C([C@H]([C@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N

InChI

InChI=1S/C23H28N2OS/c1-4-5-13-27-23-18(14-24)21(17-11-9-16(10-12-17)15(2)3)22-19(25-23)7-6-8-20(22)26/h9-12,15,21-22H,4-8,13H2,1-3H3/t21-,22+/m1/s1