ethyl 1-(3-methylphenyl)-5-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-methylphenyl)-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-methylsulfanyl-1-(m-tolyl)pyrazole-4-carboxylate CAS Name: 1-(3-methylphenyl)-5-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylphenyl)-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-(methylthio)-1-(m-tolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C)SC

InChI

InChI=1S/C14H16N2O2S/c1-4-18-14(17)12-9-15-16(13(12)19-3)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3