(4-ethanoylphenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (4-acetylphenyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (4-acetylphenyl) ester Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H16N2O3S/c1-15(25)16-9-11-18(12-10-16)27-22(26)20-14-19(21-8-5-13-28-21)23-24(20)17-6-3-2-4-7-17/h2-14H,1H3