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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(4-chlorophenyl)methylthio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(4-chlorobenzyl)thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H19ClN2S MolecularWeight: 390.92836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H19ClN2S/c24-18-12-10-16(11-13-18)15-27-23-21(14-25)19-8-4-5-9-20(19)22(26-23)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,15H2