(3-methylphenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (3-methylphenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: m-tolyl 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid m-tolyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H16N2O2S/c1-15-7-5-10-17(13-15)25-21(24)19-14-18(20-11-6-12-26-20)22-23(19)16-8-3-2-4-9-16/h2-14H,1H3