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

Systemtic Name: 3-[[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]propanoate Openeye Name: 3-[[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]propanoate CAS Name: 3-[[3-(4-fluorophenyl)-1-methyl-4-pyrazolyl]methylthio]propanoate IUPAC Name: 3-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methylsulfanyl]propanoate Traditional Name: 3-[[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]methylthio]propionate Formula: C14H14FN2O2S- MolecularWeight: 293.336563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15FN2O2S/c1-17-8-11(9-20-7-6-13(18)19)14(16-17)10-2-4-12(15)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,18,19)/p-1