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

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(3,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]acetic acid CAS Name: 2-[[3-(3,4-dimethylphenyl)-1-methyl-4-pyrazolyl]methylthio]acetic acid IUPAC Name: 2-[[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-(3,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]methylthio]acetic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-10-4-5-12(6-11(10)2)15-13(7-17(3)16-15)8-20-9-14(18)19/h4-7H,8-9H2,1-3H3,(H,18,19)