[2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[[2-(4-fluorophenyl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C20H17ClFN3O3S MolecularWeight: 433.883683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17ClFN3O3S/c1-12-9-18(25(24-12)14-5-3-13(22)4-6-14)23-19(26)11-28-20(27)16-10-15(29-2)7-8-17(16)21/h3-10H,11H2,1-2H3,(H,23,26)