[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

C1=CSC(=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C19H14ClN3O3S/c20-14-6-4-13(5-7-14)16(24)12-26-19(25)15-11-23(9-2-8-21)22-18(15)17-3-1-10-27-17/h1,3-7,10-11H,2,9,12H2