3-[({2-[(Difluoromethyl)sulfanyl]phenyl}amino)methyl]-4-fluorobenzonitrile

ChemSpider ID: 24266921
Molecular Formula: C₁₅H₁₁F₃N₂S
Average mass: 308.321411 Da
Monoisotopic mass: 308.059509 Da
Systematic name

3-[({2-[(Difluoromethyl)sulfanyl]phenyl}amino)methyl]-4-fluorobenzonitrile
SMILES and InChIs

SMILES:

c1ccc(c(c1)NCc2cc(ccc2F)C#N)SC(F)F Copied

Std. InChI:

InChI=1S/C15H11F3N2S/c16-12-6-5-10(8-19)7-11(12)9-20-13-3-1-2-4-14(13)21-15(17)18/h1-7,15,20H,9H2 Copied

Std. InChIKey:

OOZCSCHDVYNGES-UHFFFAOYSA-N Copied
Cite this record
CSID:24266921, http://www.chemspider.com/Chemical-Structure.24266921.html (accessed 06:34, May 25, 2012) Copied

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Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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