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

Systemtic Name: (phenylmethyl) 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: benzyl 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylic acid benzyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c19-9-5-10-21-12-15(17(20-21)16-8-4-11-24-16)18(22)23-13-14-6-2-1-3-7-14/h1-4,6-8,11-12H,5,10,13H2