(1-cyano-4-phenyl-1-pyridin-2-ylsulfanyl-butyl) 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (1-cyano-4-phenyl-1-pyridin-2-ylsulfanyl-butyl) 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [1-cyano-4-phenyl-1-(2-pyridylsulfanyl)butyl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [1-cyano-4-phenyl-1-(2-pyridinylthio)butyl] ester IUPAC Name: (1-cyano-4-phenyl-1-pyridin-2-ylsulfanylbutyl) 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [1-cyano-4-phenyl-1-(2-pyridylthio)butyl] ester Formula: C18H15F3N2O2S MolecularWeight: 380.38411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C#N)(OC(=O)C(F)(F)F)SC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C#N)(OC(=O)C(F)(F)F)SC2=CC=CC=N2

InChI

InChI=1S/C18H15F3N2O2S/c19-18(20,21)16(24)25-17(13-22,26-15-10-4-5-12-23-15)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12H,6,9,11H2