(4R)-2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4R)-2-amino-1-(4-bromo-2-fluoro-phenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4R)-2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-4-[4-(methylthio)phenyl]-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R)-2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4R)-2-amino-1-(4-bromo-2-fluoro-phenyl)-5-keto-7,7-dimethyl-4-[4-(methylthio)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H23BrFN3OS MolecularWeight: 512.437023

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=C(C=C4)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=C(C=C4)SC)C(=O)C1)C

InChI

InChI=1S/C25H23BrFN3OS/c1-25(2)11-20-23(21(31)12-25)22(14-4-7-16(32-3)8-5-14)17(13-28)24(29)30(20)19-9-6-15(26)10-18(19)27/h4-10,22H,11-12,29H2,1-3H3/t22-/m1/s1