3-(5-methyl-2-methylsulfanyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-methyl-2-methylsulfanyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(5-methyl-2-methylsulfanyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[5-methyl-2-(methylthio)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-methyl-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[5-methyl-2-(methylthio)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SC)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-7-3-4-11(17-2)8(5-7)9-6-10(12(15)16)14-13-9/h3-6H,1-2H3,(H,13,14)(H,15,16)