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

Systemtic Name: (4R,4aR)-2-ethylsulfanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4R,4aR)-2-ethylsulfanyl-4-(4-isopropylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4R,4aR)-2-(ethylthio)-5-oxo-4-(4-propan-2-ylphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R,4aR)-2-ethylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4R,4aR)-2-(ethylthio)-5-keto-4-p-cumenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C2C(=N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCSC1=C([C@H]([C@@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N

InChI

InChI=1S/C21H24N2OS/c1-4-25-21-16(12-22)19(15-10-8-14(9-11-15)13(2)3)20-17(23-21)6-5-7-18(20)24/h8-11,13,19-20H,4-7H2,1-3H3/t19-,20-/m1/s1