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

Systemtic Name: 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-phenyl-3-[[3-(trifluoromethyl)benzyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H19F3N2S MolecularWeight: 424.48127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19F3N2S/c25-24(26,27)18-10-6-7-16(13-18)15-30-23-21(14-28)19-11-4-5-12-20(19)22(29-23)17-8-2-1-3-9-17/h1-3,6-10,13H,4-5,11-12,15H2