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

Systemtic Name: 1-(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(m-tolylmethylsulfanyl)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-methylphenyl)-3-[(3-methylphenyl)methylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3-methylbenzyl)thio]-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C25H24N2S MolecularWeight: 384.53646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2S/c1-17-10-12-20(13-11-17)24-22-9-4-3-8-21(22)23(15-26)25(27-24)28-16-19-7-5-6-18(2)14-19/h5-7,10-14H,3-4,8-9,16H2,1-2H3