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

Systemtic Name: 2-[3-[2,5-bis(fluoranyl)phenyl]sulfanylpropoxy]benzenecarbonitrile Openeye Name: 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]benzonitrile CAS Name: 2-[3-[(2,5-difluorophenyl)thio]propoxy]benzonitrile IUPAC Name: 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]benzonitrile Traditional Name: 2-[3-[(2,5-difluorophenyl)thio]propoxy]benzonitrile Formula: C16H13F2NOS MolecularWeight: 305.342326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCCCSC2=C(C=CC(=C2)F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCCCSC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C16H13F2NOS/c17-13-6-7-14(18)16(10-13)21-9-3-8-20-15-5-2-1-4-12(15)11-19/h1-2,4-7,10H,3,8-9H2