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

Systemtic Name: 3-(2-ethylsulfonyl-5-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-ethylsulfonyl-5-methyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-ethylsulfonyl-5-methylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-ethylsulfonyl-5-methylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-esyl-5-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C=C1)C)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)C)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-3-20(18,19)12-5-4-8(2)6-9(12)10-7-11(13(16)17)15-14-10/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)