[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] thiophene-2-carboxylate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] thiophene-2-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O4S2/c1-13-8-10-15(11-9-13)28(24,25)17-14(2)21-22(20(3,4)5)18(17)26-19(23)16-7-6-12-27-16/h6-12H,1-5H3