4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-benzenecarbonitrile Openeye Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-benzonitrile CAS Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-(methylthio)benzonitrile IUPAC Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylsulfanylbenzonitrile Traditional Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-(methylthio)benzonitrile Formula: C16H9F3N2S MolecularWeight: 318.31627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C#N)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

Isomeric SMILES

CSC1=C(C=CC(=C1)C#N)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

InChI

InChI=1S/C16H9F3N2S/c1-21-14-6-4-11(8-13(14)16(17,18)19)12-5-3-10(9-20)7-15(12)22-2/h3-8H,2H3