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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H33N3OS/c1-22-14-16-27(17-15-22)41-21-26-19-29(24(3)18-23(26)2)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