3-[bis(fluoranyl)methyl]-4-ethyl-3-(ethylsulfonylamino)-4-fluoranyl-5-oxidanylidene-1-phenyl-1,2,4-triazolidine-1,4-diium-1-carbothioamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-4-ethyl-3-(ethylsulfonylamino)-4-fluoranyl-5-oxidanylidene-1-phenyl-1,2,4-triazolidine-1,4-diium-1-carbothioamide Openeye Name: 3-(difluoromethyl)-4-ethyl-3-(ethylsulfonylamino)-4-fluoro-5-oxo-1-phenyl-1,2,4-triazolidine-1,4-diium-1-carbothioamide CAS Name: 3-(difluoromethyl)-4-ethyl-3-(ethylsulfonylamino)-4-fluoro-5-oxo-1-phenyl-1,2,4-triazolidine-1,4-diium-1-carbothioamide IUPAC Name: 3-(difluoromethyl)-4-ethyl-3-(ethylsulfonylamino)-4-fluoro-5-oxo-1-phenyl-1,2,4-triazolidine-1,4-diium-1-carbothioamide Traditional Name: 3-(difluoromethyl)-3-(esylamino)-4-ethyl-4-fluoro-5-keto-1-phenyl-1,2,4-triazolidine-1,4-diium-1-carbothioamide Formula: C14H20F3N5O3S2+2 MolecularWeight: 427.46551

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)[N+](NC1(C(F)F)NS(=O)(=O)CC)(C2=CC=CC=C2)C(=S)N)F

Isomeric SMILES

CC[N+]1(C(=O)[N+](NC1(C(F)F)NS(=O)(=O)CC)(C2=CC=CC=C2)C(=S)N)F

InChI

InChI=1S/C14H19F3N5O3S2/c1-3-21(17)13(23)22(12(18)26,10-8-6-5-7-9-10)19-14(21,11(15)16)20-27(24,25)4-2/h5-9,11,19-20H,3-4H2,1-2H3,(H-,18,26)/q+1/p+1