1,5-dimethyl-2-phenyl-4-[2-(trifluoromethylsulfonyl)ethylamino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[2-(trifluoromethylsulfonyl)ethylamino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[2-(trifluoromethylsulfonyl)ethylamino]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[2-(trifluoromethylsulfonyl)ethylamino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[2-(trifluoromethylsulfonyl)ethylamino]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(2-triflylethylamino)-3-pyrazolin-3-one Formula: C14H16F3N3O3S MolecularWeight: 363.35535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCCS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCCS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H16F3N3O3S/c1-10-12(18-8-9-24(22,23)14(15,16)17)13(21)20(19(10)2)11-6-4-3-5-7-11/h3-7,18H,8-9H2,1-2H3