1-(2-fluorophenyl)-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(2-fluorophenyl)-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-(2-fluorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(2-fluorophenyl)-3-(phenylmethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-(2-fluorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(benzylthio)-1-(2-fluorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H19FN2S MolecularWeight: 374.473763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C23H19FN2S/c24-21-13-7-6-12-19(21)22-18-11-5-4-10-17(18)20(14-25)23(26-22)27-15-16-8-2-1-3-9-16/h1-3,6-9,12-13H,4-5,10-11,15H2