[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-14-20(15(2)24(3)23-14)21(26)27-13-19(25)22-17-11-7-8-12-18(17)28-16-9-5-4-6-10-16/h4-12H,13H2,1-3H3,(H,22,25)