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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(4-tert-butylphenyl)methylthio]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(4-tert-butylbenzyl)thio]-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C28H30N2S MolecularWeight: 426.6162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2S/c1-19-9-13-21(14-10-19)26-24-8-6-5-7-23(24)25(17-29)27(30-26)31-18-20-11-15-22(16-12-20)28(2,3)4/h9-16H,5-8,18H2,1-4H3