(4R,4aS)-4-(4-chlorophenyl)-2-methylsulfanyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4R,4aS)-4-(4-chlorophenyl)-2-methylsulfanyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4R,4aS)-4-(4-chlorophenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4R,4aS)-4-(4-chlorophenyl)-2-(methylthio)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R,4aS)-4-(4-chlorophenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4R,4aS)-4-(4-chlorophenyl)-5-keto-2-(methylthio)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C17H15ClN2OS MolecularWeight: 330.8318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(C2C(=N1)CCCC2=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CSC1=C([C@H]([C@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H15ClN2OS/c1-22-17-12(9-19)15(10-5-7-11(18)8-6-10)16-13(20-17)3-2-4-14(16)21/h5-8,15-16H,2-4H2,1H3/t15-,16+/m1/s1