[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H11FN4O3S MolecularWeight: 370.357643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C(=O)OCC(=O)NC3=C(C=CS3)C#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C(=O)OCC(=O)NC3=C(C=CS3)C#N)F

InChI

InChI=1S/C17H11FN4O3S/c18-12-3-1-10(2-4-12)15-13(8-20-22-15)17(24)25-9-14(23)21-16-11(7-19)5-6-26-16/h1-6,8H,9H2,(H,20,22)(H,21,23)