2-azanyl-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-7,7-dimethyl-1-naphthalen-1-yl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-7,7-dimethyl-1-naphthalen-1-yl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-1-(1-naphthyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-7,7-dimethyl-1-(1-naphthalenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-7,7-dimethyl-1-naphthalen-1-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(benzylthio)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(1-naphthyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C38H37N3OS MolecularWeight: 583.78488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC5=CC=CC=C54)N)C#N)C)CSCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC5=CC=CC=C54)N)C#N)C)CSCC6=CC=CC=C6

InChI

InChI=1S/C38H37N3OS/c1-24-17-28(23-43-22-26-11-6-5-7-12-26)25(2)30(18-24)35-31(21-39)37(40)41(33-19-38(3,4)20-34(42)36(33)35)32-16-10-14-27-13-8-9-15-29(27)32/h5-18,35H,19-20,22-23,40H2,1-4H3