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

Systemtic Name: 2-azanyl-1-(2-bromophenyl)-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-1-(2-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2-bromophenyl)-4-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-1-(2-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(benzylthio)methyl]-2,5-dimethyl-phenyl]-1-(2-bromophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C32H30BrN3OS MolecularWeight: 584.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4Br)N)C#N)C)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4Br)N)C#N)C)CSCC5=CC=CC=C5

InChI

InChI=1S/C32H30BrN3OS/c1-20-15-23(19-38-18-22-9-4-3-5-10-22)21(2)24(16-20)30-25(17-34)32(35)36(27-12-7-6-11-26(27)33)28-13-8-14-29(37)31(28)30/h3-7,9-12,15-16,30H,8,13-14,18-19,35H2,1-2H3