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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC(=CC=C4)Cl)C#N

InChI

InChI=1S/C24H21ClN2S/c1-16-9-11-18(12-10-16)23-21-8-3-2-7-20(21)22(14-26)24(27-23)28-15-17-5-4-6-19(25)13-17/h4-6,9-13H,2-3,7-8,15H2,1H3