2,5-bis[[3-(trifluoromethyl)phenyl]sulfanyl]benzenecarbonitrile

Systemtic Name: 2,5-bis[[3-(trifluoromethyl)phenyl]sulfanyl]benzenecarbonitrile Openeye Name: 2,5-bis[[3-(trifluoromethyl)phenyl]sulfanyl]benzonitrile CAS Name: 2,5-bis[[3-(trifluoromethyl)phenyl]thio]benzonitrile IUPAC Name: 2,5-bis[[3-(trifluoromethyl)phenyl]sulfanyl]benzonitrile Traditional Name: 2,5-bis[[3-(trifluoromethyl)phenyl]thio]benzonitrile Formula: C21H11F6NS2 MolecularWeight: 455.439159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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