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

Systemtic Name: (phenylmethyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: benzyl 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid benzyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S/c24-21(25-15-16-8-3-1-4-9-16)18-14-23(17-10-5-2-6-11-17)22-20(18)19-12-7-13-26-19/h1-14H,15H2