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

Systemtic Name: 2-azanyl-4-[5-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethylphenyl]-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C32H26Cl2F3N3OS MolecularWeight: 628.53455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)C(F)(F)F)N)C#N)CSC5=C(C=CC(=C5)Cl)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)C(F)(F)F)N)C#N)CSC5=C(C=CC(=C5)Cl)Cl)C

InChI

InChI=1S/C32H26Cl2F3N3OS/c1-17-12-18(2)23(13-19(17)16-42-28-14-21(33)8-11-25(28)34)29-24(15-38)31(39)40(26-4-3-5-27(41)30(26)29)22-9-6-20(7-10-22)32(35,36)37/h6-14,29H,3-5,16,39H2,1-2H3