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

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H19N3O3S/c1-10-15(11(2)19(3)18-10)16(21)22-9-14(20)17-12-5-7-13(23-4)8-6-12/h5-8H,9H2,1-4H3,(H,17,20)