methyl 5-(4-methylsulfanylphenyl)-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-methylsulfanylphenyl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfanylphenyl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-[4-(methylthio)phenyl]-2-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylsulfanylphenyl)-2-phenylpyrazole-3-carboxylate Traditional Name: 5-[4-(methylthio)phenyl]-2-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H16N2O2S/c1-22-18(21)17-12-16(13-8-10-15(23-2)11-9-13)19-20(17)14-6-4-3-5-7-14/h3-12H,1-2H3