methyl 5-ethoxy-3-methyl-4-(phenylcarbonylsulfanyl)pyrazole-1-carboxylate

Systemtic Name: methyl 5-ethoxy-3-methyl-4-(phenylcarbonylsulfanyl)pyrazole-1-carboxylate Openeye Name: methyl 4-benzoylsulfanyl-5-ethoxy-3-methyl-pyrazole-1-carboxylate CAS Name: 4-(benzoylthio)-5-ethoxy-3-methyl-1-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-benzoylsulfanyl-5-ethoxy-3-methylpyrazole-1-carboxylate Traditional Name: 4-(benzoylthio)-5-ethoxy-3-methyl-pyrazole-1-carboxylic acid methyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=NN1C(=O)OC)C)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=NN1C(=O)OC)C)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O4S/c1-4-21-13-12(10(2)16-17(13)15(19)20-3)22-14(18)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3