4-[2,5-bis(fluoranyl)phenyl]sulfanyl-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfanyl-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-(2,5-difluorophenyl)sulfanyl-3-fluoro-benzonitrile CAS Name: 4-[(2,5-difluorophenyl)thio]-3-fluorobenzonitrile IUPAC Name: 4-(2,5-difluorophenyl)sulfanyl-3-fluorobenzonitrile Traditional Name: 4-[(2,5-difluorophenyl)thio]-3-fluoro-benzonitrile Formula: C13H6F3NS MolecularWeight: 265.25365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)SC2=C(C=CC(=C2)F)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)SC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C13H6F3NS/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6H