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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] thiophene-2-carboxylate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O4S2/c1-15-10-12-18(13-11-15)30(26,27)20-16(2)23-24(17-7-4-3-5-8-17)21(20)28-22(25)19-9-6-14-29-19/h3-14H,1-2H3