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

Systemtic Name: 2-azanyl-1-[2,3-bis(chloranyl)phenyl]-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(2,3-dichlorophenyl)-4-[2,4-dimethyl-5-(o-tolylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2,3-dichlorophenyl)-4-[2,4-dimethyl-5-[[(2-methylphenyl)thio]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2,3-dichlorophenyl)-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(2,3-dichlorophenyl)-4-[2,4-dimethyl-5-[(o-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=CC=C1SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C(=CC=C5)Cl)Cl)N)C#N)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C(=CC=C5)Cl)Cl)N)C#N)C)C

InChI

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