[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C28H21N3O3S2 MolecularWeight: 511.61464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C28H21N3O3S2/c32-27(29-22-14-7-8-15-26(22)36-21-12-5-2-6-13-21)19-34-28(33)24-18-23(25-16-9-17-35-25)30-31(24)20-10-3-1-4-11-20/h1-18H,19H2,(H,29,32)