2-[4-isothiocyanato-2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-isothiocyanato-2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[4-isothiocyanato-2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-[4-isothiocyanato-2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-[4-isothiocyanato-2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[4-isothiocyanato-2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetonitrile Formula: C17H8F6N2S MolecularWeight: 386.314239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(C#N)C2=C(C=C(C=C2)N=C=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(C#N)C2=C(C=C(C=C2)N=C=S)C(F)(F)F

InChI

InChI=1S/C17H8F6N2S/c18-16(19,20)11-3-1-2-10(6-11)14(8-24)13-5-4-12(25-9-26)7-15(13)17(21,22)23/h1-7,14H