3-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(2,4-dichlorophenyl)methylthio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2,4-dichlorobenzyl)thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H18Cl2N2S MolecularWeight: 425.37342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18Cl2N2S/c24-17-11-10-16(21(25)12-17)14-28-23-20(13-26)18-8-4-5-9-19(18)22(27-23)15-6-2-1-3-7-15/h1-3,6-7,10-12H,4-5,8-9,14H2