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

Systemtic Name: 2-azanyl-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[2,4-dimethyl-5-(o-tolylsulfanylmethyl)phenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2,4-dimethyl-5-[[(2-methylphenyl)thio]methyl]phenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[2,4-dimethyl-5-[(o-tolylthio)methyl]phenyl]-1-(4-iodophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H34IN3OS MolecularWeight: 659.62273

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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)CC(C4)(C)C)C5=CC=C(C=C5)I)N)C#N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C34H34IN3OS/c1-20-8-6-7-9-30(20)40-19-23-15-26(22(3)14-21(23)2)31-27(18-36)33(37)38(25-12-10-24(35)11-13-25)28-16-34(4,5)17-29(39)32(28)31/h6-15,31H,16-17,19,37H2,1-5H3