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

Systemtic Name: 2-[[3-(2-methoxyphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(2-methoxyphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]acetic acid CAS Name: 2-[[3-(2-methoxyphenyl)-1-methyl-4-pyrazolyl]methylthio]acetic acid IUPAC Name: 2-[[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-(2-methoxyphenyl)-1-methyl-pyrazol-4-yl]methylthio]acetic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2OC)CSCC(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2OC)CSCC(=O)O

InChI

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