methyl 2-(3-cyanophenyl)-5-methylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 2-(3-cyanophenyl)-5-methylsulfanyl-pyrazole-3-carboxylate Openeye Name: methyl 2-(3-cyanophenyl)-5-methylsulfanyl-pyrazole-3-carboxylate CAS Name: 2-(3-cyanophenyl)-5-(methylthio)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyanophenyl)-5-methylsulfanylpyrazole-3-carboxylate Traditional Name: 2-(3-cyanophenyl)-5-(methylthio)pyrazole-3-carboxylic acid methyl ester Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=CC=CC(=C2)C#N)SC

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=CC=CC(=C2)C#N)SC

InChI

InChI=1S/C13H11N3O2S/c1-18-13(17)11-7-12(19-2)15-16(11)10-5-3-4-9(6-10)8-14/h3-7H,1-2H3