2-({4-[(Trifluoromethyl)sulfanyl]benzyl}amino)benzonitrile

ChemSpider ID: 24283319
Molecular Formula: C₁₅H₁₁F₃N₂S
Average mass: 308.321411 Da
Monoisotopic mass: 308.059509 Da
Systematic name

2-({4-[(Trifluoromethyl)sulfanyl]benzyl}amino)benzonitrile
SMILES and InChIs

SMILES:

c1ccc(c(c1)C#N)NCc2ccc(cc2)SC(F)(F)F Copied

Std. InChI:

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

Std. InChIKey:

XSWXODWFUFCHOP-UHFFFAOYSA-N Copied
Cite this record
CSID:24283319, http://www.chemspider.com/Chemical-Structure.24283319.html (accessed 06:36, 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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