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

Systemtic Name: phenacyl 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: phenacyl 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylic acid phenacyl ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O3S/c20-9-5-10-22-12-15(18(21-22)17-8-4-11-26-17)19(24)25-13-16(23)14-6-2-1-3-7-14/h1-4,6-8,11-12H,5,10,13H2