2-[4-[chloranyl-bis(fluoranyl)methyl]sulfanylphenyl]ethanenitrile; propane

Systemtic Name: 2-[4-[chloranyl-bis(fluoranyl)methyl]sulfanylphenyl]ethanenitrile; propane Openeye Name: 2-[4-[chloro(difluoro)methyl]sulfanylphenyl]acetonitrile; propane CAS Name: 2-[4-[[chloro(difluoro)methyl]thio]phenyl]acetonitrile; propane IUPAC Name: 2-[4-[chloro(difluoro)methyl]sulfanylphenyl]acetonitrile; propane Traditional Name: 2-[4-[[chloro(difluoro)methyl]thio]phenyl]acetonitrile; n-propane Formula: C12H14ClF2NS MolecularWeight: 277.761066

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC(=CC=C1CC#N)SC(F)(F)Cl

Isomeric SMILES

CCC.C1=CC(=CC=C1CC#N)SC(F)(F)Cl

InChI

InChI=1S/C9H6ClF2NS.C3H8/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13;1-3-2/h1-4H,5H2;3H2,1-2H3