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

Systemtic Name: 2-[[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[1-methyl-3-(p-tolyl)pyrazol-4-yl]methylsulfanyl]acetic acid CAS Name: 2-[[1-methyl-3-(4-methylphenyl)-4-pyrazolyl]methylthio]acetic acid IUPAC Name: 2-[[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[1-methyl-3-(p-tolyl)pyrazol-4-yl]methylthio]acetic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CSCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CSCC(=O)O)C

InChI

InChI=1S/C14H16N2O2S/c1-10-3-5-11(6-4-10)14-12(7-16(2)15-14)8-19-9-13(17)18/h3-7H,8-9H2,1-2H3,(H,17,18)