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

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[2,5-dimethyl-3-(o-tolylsulfanylmethyl)phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[[(2-methylphenyl)thio]methyl]phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[2,5-dimethyl-3-[(o-tolylthio)methyl]phenyl]-5-keto-7,7-dimethyl-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H34N4OS MolecularWeight: 534.71426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H34N4OS/c1-20-13-23(19-39-29-11-7-6-9-21(29)2)22(3)25(14-20)30-26(17-34)32(35)37(24-10-8-12-36-18-24)27-15-33(4,5)16-28(38)31(27)30/h6-14,18,30H,15-16,19,35H2,1-5H3