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

Systemtic Name: methyl 5-(4-methylsulfanylphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfanylphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-[4-(methylthio)phenyl]-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylsulfanylphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-[4-(methylthio)phenyl]-1-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=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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