2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H30BrF2N3OS MolecularWeight: 634.576606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)F)N)C#N)CSC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)F)N)C#N)CSC5=CC=C(C=C5)F)C

InChI

InChI=1S/C33H30BrF2N3OS/c1-18-11-19(2)24(12-20(18)17-41-23-8-6-22(35)7-9-23)30-25(16-37)32(38)39(27-10-5-21(34)13-26(27)36)28-14-33(3,4)15-29(40)31(28)30/h5-13,30H,14-15,17,38H2,1-4H3