(4S,4aR)-2-hexylsulfanyl-4-(4-methylphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S,4aR)-2-hexylsulfanyl-4-(4-methylphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4S,4aR)-2-hexylsulfanyl-5-oxo-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4S,4aR)-2-(hexylthio)-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S,4aR)-2-hexylsulfanyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4S,4aR)-2-(hexylthio)-5-keto-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2OS/c1-3-4-5-6-14-27-23-18(15-24)21(17-12-10-16(2)11-13-17)22-19(25-23)8-7-9-20(22)26/h10-13,21-22H,3-9,14H2,1-2H3/t21-,22+/m0/s1