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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(4-tert-butylphenyl)methylthio]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(4-tert-butylbenzyl)thio]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C27H27ClN2S MolecularWeight: 447.03468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27ClN2S/c1-27(2,3)20-12-8-18(9-13-20)17-31-26-24(16-29)22-6-4-5-7-23(22)25(30-26)19-10-14-21(28)15-11-19/h8-15H,4-7,17H2,1-3H3