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

Systemtic Name: 2-azanyl-1-[3,5-bis(chloranyl)phenyl]-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3,5-dichlorophenyl)-4-[2,5-dimethyl-3-(p-tolylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3,5-dichlorophenyl)-4-[2,5-dimethyl-3-[[(4-methylphenyl)thio]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3,5-dichlorophenyl)-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3,5-dichlorophenyl)-4-[2,5-dimethyl-3-[(p-tolylthio)methyl]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=C1)SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC(=CC(=C5)Cl)Cl)N)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC(=CC(=C5)Cl)Cl)N)C#N)C

InChI

InChI=1S/C32H29Cl2N3OS/c1-18-7-9-25(10-8-18)39-17-21-11-19(2)12-26(20(21)3)30-27(16-35)32(36)37(24-14-22(33)13-23(34)15-24)28-5-4-6-29(38)31(28)30/h7-15,30H,4-6,17,36H2,1-3H3