(4-methoxyphenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-methoxyphenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-methoxyphenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 3-methylsulfanyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(methylthio)-1-phenyl-pyrazole-4-carboxylic acid (4-methoxyphenyl) ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=CN(N=C2SC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=CN(N=C2SC)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S/c1-22-14-8-10-15(11-9-14)23-18(21)16-12-20(19-17(16)24-2)13-6-4-3-5-7-13/h3-12H,1-2H3