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

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-4-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-[2,4-dimethyl-5-(p-tolylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-[2,4-dimethyl-5-[[(4-methylphenyl)thio]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-[2,4-dimethyl-5-[(p-tolylthio)methyl]phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C33H32ClN3OS MolecularWeight: 554.14468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32ClN3OS/c1-19-11-13-24(14-12-19)39-18-23-16-25(21(3)15-20(23)2)31-26(17-35)33(36)37(28-8-5-7-27(34)22(28)4)29-9-6-10-30(38)32(29)31/h5,7-8,11-16,31H,6,9-10,18,36H2,1-4H3