[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid [(1S)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OC(C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)O[C@@H](C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O3S/c1-14-22(15(2)25(24-14)19-7-5-4-6-8-19)29-13-20(26)28-16(3)21(27)17-9-11-18(23)12-10-17/h4-12,16H,13H2,1-3H3/t16-/m0/s1