(3-cyanophenyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (3-cyanophenyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (3-cyanophenyl) 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (3-cyanophenyl) ester Formula: C21H13N3O2S MolecularWeight: 371.41182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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