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CHEBI:94133 - 3-[3,5-bis(trifluoromethyl)anilino]-2-(4-methylphenyl)sulfonyl-2-propenenitrile

ChEBI IDCHEBI:94133
ChEBI Name3-[3,5-bis(trifluoromethyl)anilino]-2-(4-methylphenyl)sulfonyl-2-propenenitrile
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FormulaC18H12F6N2O2S
Net Charge0
Average Mass434.361
Monoisotopic Mass434.05237
SMILESCc1ccc(S(=O)(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H12F6N2O2S/c1-11-2-4-15(5-3-11)29(27,28)16(9-25)10-26-14-7-12(17(19,20)21)6-13(8-14)18(22,23)24/h2-8,10,26H,1H3
InChIKeyVAUYKIRTPDSWGR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[3,5-bis(trifluoromethyl)anilino]-2-(4-methylphenyl)sulfonyl-2-propenenitrile (CHEBI:94133) is a (trifluoromethyl)benzenes (CHEBI:83565)
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LSM-4745LINCS