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

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-1-naphthalen-1-yl-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-1-(1-naphthyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-1-(1-naphthalenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-1-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(benzylthio)methyl]-2,5-dimethyl-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)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC5=CC=CC=C54)N)C#N)C)CSCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC5=CC=CC=C54)N)C#N)C)CSCC6=CC=CC=C6

InChI

InChI=1S/C36H33N3OS/c1-23-18-27(22-41-21-25-10-4-3-5-11-25)24(2)29(19-23)34-30(20-37)36(38)39(32-16-9-17-33(40)35(32)34)31-15-8-13-26-12-6-7-14-28(26)31/h3-8,10-15,18-19,34H,9,16-17,21-22,38H2,1-2H3