3-methyl-4-(2-methylpyrazol-3-yl)-5-methylsulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-4-(2-methylpyrazol-3-yl)-5-methylsulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-4-(2-methylpyrazol-3-yl)-5-methylsulfonyl-thiophene-2-carboxylic acid CAS Name: 3-methyl-4-(2-methyl-3-pyrazolyl)-5-methylsulfonyl-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-4-(2-methylpyrazol-3-yl)-5-methylsulfonylthiophene-2-carboxylic acid Traditional Name: 5-mesyl-3-methyl-4-(2-methylpyrazol-3-yl)-2-thenoic acid Formula: C11H12N2O4S2 MolecularWeight: 300.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=CC=NN2C)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C2=CC=NN2C)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H12N2O4S2/c1-6-8(7-4-5-12-13(7)2)11(19(3,16)17)18-9(6)10(14)15/h4-5H,1-3H3,(H,14,15)