2-azanyl-4-[3-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,5-dimethyl-phenyl]-1-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,5-dimethyl-phenyl]-1-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-[[(2,5-dichlorophenyl)thio]methyl]-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-[[(2,5-dichlorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C32H25Cl3F3N3OS MolecularWeight: 662.97961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)C(F)(F)F)Cl)N)C#N)C)CSC5=C(C=CC(=C5)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)C(F)(F)F)Cl)N)C#N)C)CSC5=C(C=CC(=C5)Cl)Cl

InChI

InChI=1S/C32H25Cl3F3N3OS/c1-16-10-18(15-43-28-13-20(33)7-9-24(28)35)17(2)21(11-16)29-22(14-39)31(40)41(25-4-3-5-27(42)30(25)29)26-12-19(32(36,37)38)6-8-23(26)34/h6-13,29H,3-5,15,40H2,1-2H3