methyl 2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazole-3-carboxylate Openeye Name: methyl 2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazole-3-carboxylate CAS Name: 2-(4-methoxyphenyl)-5-(methylthio)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methoxyphenyl)-5-methylsulfanylpyrazole-3-carboxylate Traditional Name: 2-(4-methoxyphenyl)-5-(methylthio)pyrazole-3-carboxylic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C(=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-17-10-6-4-9(5-7-10)15-11(13(16)18-2)8-12(14-15)19-3/h4-8H,1-3H3