[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-26-18-9-7-16(8-10-18)19(23)14-25-20(24)11-15-12-21-22(13-15)17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3