(3R)-6-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3R)-6-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3R)-6-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3R)-6-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3R)-6-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3R)-6-[(3-chloro-4-methyl-2-quinolyl)methylthio]-2-keto-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C20H17ClN4OS MolecularWeight: 396.89318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=C(C(C(C(=O)N3)C#N)(C)C)C#N)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=C(C([C@@H](C(=O)N3)C#N)(C)C)C#N)Cl

InChI

InChI=1S/C20H17ClN4OS/c1-11-12-6-4-5-7-15(12)24-16(17(11)21)10-27-19-14(9-23)20(2,3)13(8-22)18(26)25-19/h4-7,13H,10H2,1-3H3,(H,25,26)/t13-/m1/s1