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

Systemtic Name: 3-[2,5-bis(fluoranyl)phenyl]sulfanylpentanenitrile Openeye Name: 3-(2,5-difluorophenyl)sulfanylpentanenitrile CAS Name: 3-[(2,5-difluorophenyl)thio]pentanenitrile IUPAC Name: 3-(2,5-difluorophenyl)sulfanylpentanenitrile Traditional Name: 3-[(2,5-difluorophenyl)thio]valeronitrile Formula: C11H11F2NS MolecularWeight: 227.273546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=C(C=CC(=C1)F)F

Isomeric SMILES

CCC(CC#N)SC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C11H11F2NS/c1-2-9(5-6-14)15-11-7-8(12)3-4-10(11)13/h3-4,7,9H,2,5H2,1H3