1-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzothiazepin-1-ium 6-oxide

Systemtic Name: 1-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzothiazepin-1-ium 6-oxide Openeye Name: 1-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzothiazepin-1-ium 6-oxide CAS Name: 1-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzothiazepin-1-ium 6-oxide IUPAC Name: 1-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzothiazepin-1-ium 6-oxide Traditional Name: 1-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzothiazepin-1-ium 6-oxide Formula: C22H13F5N3OS+ MolecularWeight: 462.415136

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)C2=CC=CC=C2N3C1=NC(=[N+]3C4=C(C(=C(C(=C4F)F)F)F)F)C5=CC=CC=C5

Isomeric SMILES

C1CS(=O)C2=CC=CC=C2N3C1=NC(=[N+]3C4=C(C(=C(C(=C4F)F)F)F)F)C5=CC=CC=C5

InChI

InChI=1S/C22H13F5N3OS/c23-16-17(24)19(26)21(20(27)18(16)25)30-22(12-6-2-1-3-7-12)28-15-10-11-32(31)14-9-5-4-8-13(14)29(15)30/h1-9H,10-11H2/q+1