2-azanyl-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-1-naphthalen-1-yl-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-1-naphthalen-1-yl-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[2,5-dimethyl-3-(p-tolylsulfanylmethyl)phenyl]-1-(1-naphthyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[[(4-methylphenyl)thio]methyl]phenyl]-1-(1-naphthalenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-1-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[2,5-dimethyl-3-[(p-tolylthio)methyl]phenyl]-5-keto-1-(1-naphthyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C36H33N3OS MolecularWeight: 555.73172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC6=CC=CC=C65)N)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC6=CC=CC=C65)N)C#N)C

InChI

InChI=1S/C36H33N3OS/c1-22-14-16-27(17-15-22)41-21-26-18-23(2)19-29(24(26)3)34-30(20-37)36(38)39(32-12-7-13-33(40)35(32)34)31-11-6-9-25-8-4-5-10-28(25)31/h4-6,8-11,14-19,34H,7,12-13,21,38H2,1-3H3