(4R,4aR)-2-butylsulfanyl-4-(4-methylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4R,4aR)-2-butylsulfanyl-4-(4-methylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4R,4aR)-2-butylsulfanyl-5-oxo-4-(p-tolyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4R,4aR)-2-(butylthio)-4-(4-methylphenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4R,4aR)-2-butylsulfanyl-4-(4-methylphenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4R,4aR)-2-(butylthio)-5-keto-4-(p-tolyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=CCCC(=O)C2C(C1C#N)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCSC1=NC2=CCCC(=O)[C@@H]2[C@H](C1C#N)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2OS/c1-3-4-12-25-21-16(13-22)19(15-10-8-14(2)9-11-15)20-17(23-21)6-5-7-18(20)24/h6,8-11,16,19-20H,3-5,7,12H2,1-2H3/t16?,19-,20+/m0/s1