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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]ethanoate Openeye Name: 2-[[3-(4-methoxyphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]acetate CAS Name: 2-[[3-(4-methoxyphenyl)-1-methyl-4-pyrazolyl]methylthio]acetate IUPAC Name: 2-[[3-(4-methoxyphenyl)-1-methylpyrazol-4-yl]methylsulfanyl]acetate Traditional Name: 2-[[3-(4-methoxyphenyl)-1-methyl-pyrazol-4-yl]methylthio]acetate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-16-7-11(8-20-9-13(17)18)14(15-16)10-3-5-12(19-2)6-4-10/h3-7H,8-9H2,1-2H3,(H,17,18)/p-1