methyl 1-ethanoyl-5-methyl-3-phenylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: methyl 1-ethanoyl-5-methyl-3-phenylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 1-acetyl-5-methyl-3-phenylsulfanyl-pyrazole-4-carboxylate CAS Name: 1-acetyl-5-methyl-3-(phenylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-5-methyl-3-phenylsulfanylpyrazole-4-carboxylate Traditional Name: 1-acetyl-5-methyl-3-(phenylthio)pyrazole-4-carboxylic acid methyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)SC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)SC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H14N2O3S/c1-9-12(14(18)19-3)13(15-16(9)10(2)17)20-11-7-5-4-6-8-11/h4-8H,1-3H3