2-[[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]ethanoate Openeye Name: 2-[[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]acetate CAS Name: 2-[[3-(4-fluorophenyl)-1-methyl-4-pyrazolyl]methylthio]acetate IUPAC Name: 2-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methylsulfanyl]acetate Traditional Name: 2-[[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]methylthio]acetate Formula: C13H12FN2O2S- MolecularWeight: 279.309983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)F)CSCC(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)F)CSCC(=O)[O-]

InChI

InChI=1S/C13H13FN2O2S/c1-16-6-10(7-19-8-12(17)18)13(15-16)9-2-4-11(14)5-3-9/h2-6H,7-8H2,1H3,(H,17,18)/p-1