(4-phenylphenyl) 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylic acid (4-phenylphenyl) ester Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CN(N=C3C4=CC=CS4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CN(N=C3C4=CC=CS4)CCC#N

InChI

InChI=1S/C23H17N3O2S/c24-13-5-14-26-16-20(22(25-26)21-8-4-15-29-21)23(27)28-19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-4,6-12,15-16H,5,14H2