1-(6-cyanopyridin-3-yl)sulfanylbutyl 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-(6-cyanopyridin-3-yl)sulfanylbutyl 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-[(6-cyano-3-pyridyl)sulfanyl]butyl 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid 1-[(6-cyano-3-pyridinyl)thio]butyl ester IUPAC Name: 1-(6-cyanopyridin-3-yl)sulfanylbutyl 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid 1-[(6-cyano-3-pyridyl)thio]butyl ester Formula: C12H11F3N2O2S MolecularWeight: 304.28815

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)C(F)(F)F)SC1=CN=C(C=C1)C#N

Isomeric SMILES

CCCC(OC(=O)C(F)(F)F)SC1=CN=C(C=C1)C#N

InChI

InChI=1S/C12H11F3N2O2S/c1-2-3-10(19-11(18)12(13,14)15)20-9-5-4-8(6-16)17-7-9/h4-5,7,10H,2-3H2,1H3