1-ethyl-5-methyl-6-methylsulfonyl-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-ethyl-5-methyl-6-methylsulfonyl-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-ethyl-5-methyl-6-methylsulfonyl-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-ethyl-5-methyl-6-methylsulfonyl-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-ethyl-5-methyl-6-methylsulfonyl-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-ethyl-6-mesyl-5-methyl-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C15H17F3N2O4S MolecularWeight: 378.36669

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(C(=C(C1S(=O)(=O)C)C)C(F)(F)F)C2=CC=NN2)C(=O)O

Isomeric SMILES

CCC1(C=C(C(=C(C1S(=O)(=O)C)C)C(F)(F)F)C2=CC=NN2)C(=O)O

InChI

InChI=1S/C15H17F3N2O4S/c1-4-14(13(21)22)7-9(10-5-6-19-20-10)11(15(16,17)18)8(2)12(14)25(3,23)24/h5-7,12H,4H2,1-3H3,(H,19,20)(H,21,22)