[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H16N4O3S/c24-14-17-11-12-31-22(17)25-21(28)15-30-23(29)20-13-19(16-7-3-1-4-8-16)26-27(20)18-9-5-2-6-10-18/h1-13H,15H2,(H,25,28)