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

Systemtic Name: 2-azanyl-1-[3,5-bis(chloranyl)phenyl]-4-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-(benzylsulfanylmethyl)-2,4-dimethyl-phenyl]-1-(3,5-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3,5-dichlorophenyl)-4-[2,4-dimethyl-5-[(phenylmethylthio)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-(benzylsulfanylmethyl)-2,4-dimethylphenyl]-1-(3,5-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(benzylthio)methyl]-2,4-dimethyl-phenyl]-1-(3,5-dichlorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H33Cl2N3OS MolecularWeight: 602.61632

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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)Cl)Cl)N)C#N)CSCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC(=C4)Cl)Cl)N)C#N)CSCC5=CC=CC=C5)C

InChI

InChI=1S/C34H33Cl2N3OS/c1-20-10-21(2)27(11-23(20)19-41-18-22-8-6-5-7-9-22)31-28(17-37)33(38)39(26-13-24(35)12-25(36)14-26)29-15-34(3,4)16-30(40)32(29)31/h5-14,31H,15-16,18-19,38H2,1-4H3