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

Systemtic Name: (4S,4aR)-4-(4-methylphenyl)-2-methylsulfanyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4S,4aR)-2-methylsulfanyl-5-oxo-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4S,4aR)-4-(4-methylphenyl)-2-(methylthio)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S,4aR)-4-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4S,4aR)-5-keto-2-(methylthio)-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=NC(=C2C#N)SC)CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H]3C(=NC(=C2C#N)SC)CCCC3=O

InChI

InChI=1S/C18H18N2OS/c1-11-6-8-12(9-7-11)16-13(10-19)18(22-2)20-14-4-3-5-15(21)17(14)16/h6-9,16-17H,3-5H2,1-2H3/t16-,17+/m0/s1