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

Systemtic Name: 2-azanyl-4-[5-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,4-dimethyl-phenyl]-1-(3-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-1-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethylphenyl]-1-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-1-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-1-(3-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H30Cl2FN3OS MolecularWeight: 606.580203

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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=CC(=CC=C4)F)N)C#N)CSC5=C(C=CC(=C5)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C33H30Cl2FN3OS/c1-18-10-19(2)24(11-20(18)17-41-29-12-21(34)8-9-26(29)35)30-25(16-37)32(38)39(23-7-5-6-22(36)13-23)27-14-33(3,4)15-28(40)31(27)30/h5-13,30H,14-15,17,38H2,1-4H3