5,5-bis(bromanyl)-6-(bromomethyl)-1,2-diphenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium bromide

Systemtic Name: 5,5-bis(bromanyl)-6-(bromomethyl)-1,2-diphenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium bromide Openeye Name: 5,5-dibromo-6-(bromomethyl)-1,2-diphenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium bromide CAS Name: 5,5-dibromo-6-(bromomethyl)-1,2-diphenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium bromide IUPAC Name: 5,5-dibromo-6-(bromomethyl)-1,2-diphenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium bromide Traditional Name: 5,5-dibromo-6-(bromomethyl)-1,2-diphenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium bromide Formula: C17H13Br4N3SSe MolecularWeight: 689.94622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C(=[N+]2C4=CC=CC=C4)SC=C([Se]3(Br)Br)CBr.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C(=[N+]2C4=CC=CC=C4)SC=C([Se]3(Br)Br)CBr.[Br-]

InChI

InChI=1S/C17H13Br3N3SSe.BrH/c18-11-15-12-24-17-22(14-9-5-2-6-10-14)16(13-7-3-1-4-8-13)21-23(17)25(15,19)20;/h1-10,12H,11H2;1H/q+1;/p-1