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

Systemtic Name: (4-cyanophenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (4-cyanophenyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (4-cyanophenyl) ester Formula: C21H13N3O2S MolecularWeight: 371.41182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H13N3O2S/c22-14-15-8-10-17(11-9-15)26-21(25)19-13-18(20-7-4-12-27-20)23-24(19)16-5-2-1-3-6-16/h1-13H