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

Systemtic Name: 2-azanyl-4-[5-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,4-dimethyl-phenyl]-1-(2-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-1-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethylphenyl]-1-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-1-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-1-(2-fluorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H26Cl2FN3OS MolecularWeight: 578.527043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4F)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=CC=C4F)N)C#N)CSC5=C(C=CC(=C5)Cl)Cl)C

InChI

InChI=1S/C31H26Cl2FN3OS/c1-17-12-18(2)21(13-19(17)16-39-28-14-20(32)10-11-23(28)33)29-22(15-35)31(36)37(25-7-4-3-6-24(25)34)26-8-5-9-27(38)30(26)29/h3-4,6-7,10-14,29H,5,8-9,16,36H2,1-2H3