3-({4-[(Trifluoromethyl)sulfanyl]benzyl}amino)benzonitrile

ChemSpider ID: 24273410
Molecular Formula: C₁₅H₁₁F₃N₂S
Average mass: 308.321411 Da
Monoisotopic mass: 308.059509 Da
Systematic name

3-({4-[(Trifluoromethyl)sulfanyl]benzyl}amino)benzonitrile
SMILES and InChIs

SMILES:

c1cc(cc(c1)NCc2ccc(cc2)SC(F)(F)F)C#N Copied

Std. InChI:

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

Std. InChIKey:

KKNPPIURPQSQLM-UHFFFAOYSA-N Copied
Cite this record
CSID:24273410, http://www.chemspider.com/Chemical-Structure.24273410.html (accessed 06:35, 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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