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

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)sulfanylethanoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(4-fluorophenyl)sulfanylacetate CAS Name: 2-[(4-fluorophenyl)thio]acetic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate Traditional Name: 2-[(4-fluorophenyl)thio]acetic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4S/c1-14-20(21(28)25(24(14)2)16-6-4-3-5-7-16)23-18(26)12-29-19(27)13-30-17-10-8-15(22)9-11-17/h3-11H,12-13H2,1-2H3,(H,23,26)