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

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-[5-[[(4-chlorophenyl)thio]methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-[5-[[(4-chlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C32H29Cl2N3OS MolecularWeight: 574.56316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H29Cl2N3OS/c1-18-14-19(2)24(15-21(18)17-39-23-12-10-22(33)11-13-23)30-25(16-35)32(36)37(27-7-4-6-26(34)20(27)3)28-8-5-9-29(38)31(28)30/h4,6-7,10-15,30H,5,8-9,17,36H2,1-3H3