(4-methylsulfanylphenyl)methyl 1-phenylpyrazole-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-phenylpyrazole-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [4-(methylthio)benzyl] ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c1-23-17-9-7-14(8-10-17)13-22-18(21)15-11-19-20(12-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3