3-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(2-chlorophenyl)methylthio]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2-chlorobenzyl)thio]-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H21ClN2S MolecularWeight: 404.95494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C24H21ClN2S/c1-16-10-12-17(13-11-16)23-20-8-4-3-7-19(20)21(14-26)24(27-23)28-15-18-6-2-5-9-22(18)25/h2,5-6,9-13H,3-4,7-8,15H2,1H3