2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazole-3-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazole-3-carboxylic acid CAS Name: 2-(4-methoxyphenyl)-5-(methylthio)-3-pyrazolecarboxylic acid IUPAC Name: 2-(4-methoxyphenyl)-5-methylsulfanylpyrazole-3-carboxylic acid Traditional Name: 2-(4-methoxyphenyl)-5-(methylthio)pyrazole-3-carboxylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-17-9-5-3-8(4-6-9)14-10(12(15)16)7-11(13-14)18-2/h3-7H,1-2H3,(H,15,16)