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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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