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

Systemtic Name: 2-azanyl-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-1-(3-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-1-(m-tolyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[[(4-chlorophenyl)thio]methyl]-2,4-dimethylphenyl]-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[[(4-chlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(m-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H34ClN3OS MolecularWeight: 568.17126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4C)C)CSC5=CC=C(C=C5)Cl)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4C)C)CSC5=CC=C(C=C5)Cl)C(=O)CC(C3)(C)C

InChI

InChI=1S/C34H34ClN3OS/c1-20-7-6-8-25(13-20)38-29-16-34(4,5)17-30(39)32(29)31(28(18-36)33(38)37)27-15-23(21(2)14-22(27)3)19-40-26-11-9-24(35)10-12-26/h6-15,31H,16-17,19,37H2,1-5H3