methyl 1-(4-methylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfanylphenyl)-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 5-[4-(methylthio)phenyl]-1-(p-tolyl)pyrazole-3-carboxylic acid methyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OC)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OC)C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H18N2O2S/c1-13-4-8-15(9-5-13)21-18(12-17(20-21)19(22)23-2)14-6-10-16(24-3)11-7-14/h4-12H,1-3H3