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

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(2-ethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[2,5-dimethyl-3-(o-tolylsulfanylmethyl)phenyl]-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[[(2-methylphenyl)thio]methyl]phenyl]-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[2,5-dimethyl-3-[(o-tolylthio)methyl]phenyl]-1-(2-ethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C36H39N3OS MolecularWeight: 561.77936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)CSC5=CC=CC=C5C)C)C(=O)CC(C3)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)CSC5=CC=CC=C5C)C)C(=O)CC(C3)(C)C

InChI

InChI=1S/C36H39N3OS/c1-7-25-13-9-10-14-29(25)39-30-18-36(5,6)19-31(40)34(30)33(28(20-37)35(39)38)27-17-22(2)16-26(24(27)4)21-41-32-15-11-8-12-23(32)3/h8-17,33H,7,18-19,21,38H2,1-6H3