[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c27-22(24-13-14-30-19-9-5-2-6-10-19)16-29-23(28)21-15-20(17-11-12-17)25-26(21)18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2,(H,24,27)