ethyl 4-[(2Z)-2-hydroxyimino-2-phenylsulfanyl-ethanoyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(2Z)-2-hydroxyimino-2-phenylsulfanyl-ethanoyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[(2Z)-2-hydroxyimino-2-phenylsulfanyl-acetyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-[(2Z)-2-hydroxyimino-1-oxo-2-(phenylthio)ethyl]-5-methyl-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2Z)-2-hydroxyimino-2-phenylsulfanylacetyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 4-[(2Z)-2-hydroximino-2-(phenylthio)acetyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C(=O)C(=NO)SC2=CC=CC=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C(=O)/C(=N/O)/SC2=CC=CC=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21N3O4S/c1-4-29-22(27)19-18(15(3)25(23-19)16-12-10-14(2)11-13-16)20(26)21(24-28)30-17-8-6-5-7-9-17/h5-13,28H,4H2,1-3H3/b24-21-