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

Systemtic Name: methyl 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: methyl 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylic acid methyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C2=CC=CS2)CCC#N

Isomeric SMILES

COC(=O)C1=CN(N=C1C2=CC=CS2)CCC#N

InChI

InChI=1S/C12H11N3O2S/c1-17-12(16)9-8-15(6-3-5-13)14-11(9)10-4-2-7-18-10/h2,4,7-8H,3,6H2,1H3