2,6-bis[[4-(trifluoromethyl)phenyl]sulfanyl]benzenecarbonitrile

Systemtic Name: 2,6-bis[[4-(trifluoromethyl)phenyl]sulfanyl]benzenecarbonitrile Openeye Name: 2,6-bis[[4-(trifluoromethyl)phenyl]sulfanyl]benzonitrile CAS Name: 2,6-bis[[4-(trifluoromethyl)phenyl]thio]benzonitrile IUPAC Name: 2,6-bis[[4-(trifluoromethyl)phenyl]sulfanyl]benzonitrile Traditional Name: 2,6-bis[[4-(trifluoromethyl)phenyl]thio]benzonitrile Formula: C21H11F6NS2 MolecularWeight: 455.439159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)C(F)(F)F)C#N)SC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)C(F)(F)F)C#N)SC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H11F6NS2/c22-20(23,24)13-4-8-15(9-5-13)29-18-2-1-3-19(17(18)12-28)30-16-10-6-14(7-11-16)21(25,26)27/h1-11H