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

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-1-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-1-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-1-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(benzylthio)methyl]-2,5-dimethyl-phenyl]-1-(4-ethylphenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C34H35N3OS MolecularWeight: 533.7262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)CSCC5=CC=CC=C5)C)C(=O)CCC3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)CSCC5=CC=CC=C5)C)C(=O)CCC3

InChI

InChI=1S/C34H35N3OS/c1-4-24-13-15-27(16-14-24)37-30-11-8-12-31(38)33(30)32(29(19-35)34(37)36)28-18-22(2)17-26(23(28)3)21-39-20-25-9-6-5-7-10-25/h5-7,9-10,13-18,32H,4,8,11-12,20-21,36H2,1-3H3