2-azanyl-4-[2,5-dimethyl-3-[(2-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-[(2-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-(o-tolylsulfanylmethyl)phenyl]-1-(1-naphthyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[[(2-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-[(2-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-[(o-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=CC=C1SCC2=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=CC=C1SCC2=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/c1-22-18-26(21-41-33-17-7-4-10-23(33)2)24(3)28(19-22)34-29(20-37)36(38)39(31-15-9-16-32(40)35(31)34)30-14-8-12-25-11-5-6-13-27(25)30/h4-8,10-14,17-19,34H,9,15-16,21,38H2,1-3H3