N-[2,6-bis(fluoranyl)phenyl]-4-fluoranyl-7-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-2-sulfonamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-4-fluoranyl-7-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-2-sulfonamide Openeye Name: N-(2,6-difluorophenyl)-4-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-2-sulfonamide CAS Name: N-(2,6-difluorophenyl)-4-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-2-sulfonamide IUPAC Name: N-(2,6-difluorophenyl)-4-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-2-sulfonamide Traditional Name: N-(2,6-difluorophenyl)-4-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-2-sulfonamide Formula: C12H9F3N5O3S+ MolecularWeight: 360.29177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=N[N+]2(C=N1)F)S(=O)(=O)NC3=C(C=CC=C3F)F

Isomeric SMILES

COC1=CC2=NC(=N[N+]2(C=N1)F)S(=O)(=O)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C12H9F3N5O3S/c1-23-10-5-9-17-12(18-20(9,15)6-16-10)24(21,22)19-11-7(13)3-2-4-8(11)14/h2-6,19H,1H3/q+1