[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C19H15F3N2O3S MolecularWeight: 408.39421

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C19H15F3N2O3S/c20-19(21,22)28-15-8-6-14(7-9-15)18(26)27-12-17(25)24-11-10-16(23-24)13-4-2-1-3-5-13/h1-9H,10-12H2