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

Systemtic Name: 2-azanyl-4-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]-1-naphthalen-1-yl-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-(benzylsulfanylmethyl)-2,4-dimethyl-phenyl]-1-(1-naphthyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,4-dimethyl-5-[(phenylmethylthio)methyl]phenyl]-1-(1-naphthalenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-(benzylsulfanylmethyl)-2,4-dimethylphenyl]-1-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(benzylthio)methyl]-2,4-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=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC5=CC=CC=C54)N)C#N)CSCC6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC5=CC=CC=C54)N)C#N)CSCC6=CC=CC=C6)C

InChI

InChI=1S/C36H33N3OS/c1-23-18-24(2)29(19-27(23)22-41-21-25-10-4-3-5-11-25)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