2-azanyl-4-[3-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,5-dimethyl-phenyl]-1-(2-bromophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,5-dimethyl-phenyl]-1-(2-bromophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-bromophenyl)-4-[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(2-bromophenyl)-4-[3-[[(2,5-dichlorophenyl)thio]methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-bromophenyl)-4-[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-bromophenyl)-4-[3-[[(2,5-dichlorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H30BrCl2N3OS MolecularWeight: 667.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4Br)N)C#N)C)CSC5=C(C=CC(=C5)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4Br)N)C#N)C)CSC5=C(C=CC(=C5)Cl)Cl

InChI

InChI=1S/C33H30BrCl2N3OS/c1-18-11-20(17-41-29-13-21(35)9-10-25(29)36)19(2)22(12-18)30-23(16-37)32(38)39(26-8-6-5-7-24(26)34)27-14-33(3,4)15-28(40)31(27)30/h5-13,30H,14-15,17,38H2,1-4H3