2-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[[3-(trifluoromethyl)phenyl]methyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[3-(trifluoromethyl)benzyl]imidazol-2-yl]thio]acetate Formula: C13H10F3N2O2S- MolecularWeight: 315.29091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C13H11F3N2O2S/c14-13(15,16)10-3-1-2-9(6-10)7-18-5-4-17-12(18)21-8-11(19)20/h1-6H,7-8H2,(H,19,20)/p-1