2-(3-bromophenyl)-5,5-bis(chloranyl)-6-(chloromethyl)-1-phenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium chloride

Systemtic Name: 2-(3-bromophenyl)-5,5-bis(chloranyl)-6-(chloromethyl)-1-phenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium chloride Openeye Name: 2-(3-bromophenyl)-5,5-dichloro-6-(chloromethyl)-1-phenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium chloride CAS Name: 2-(3-bromophenyl)-5,5-dichloro-6-(chloromethyl)-1-phenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium chloride IUPAC Name: 2-(3-bromophenyl)-5,5-dichloro-6-(chloromethyl)-1-phenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium chloride Traditional Name: 2-(3-bromophenyl)-5,5-dichloro-6-(chloromethyl)-1-phenyl-[1,2,4]triazolo[5,1-b][1,4,3]thiaselenazin-1-ium chloride Formula: C17H12BrCl4N3SSe MolecularWeight: 591.03828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C3N(N=C2C4=CC(=CC=C4)Br)[Se](C(=CS3)CCl)(Cl)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C3N(N=C2C4=CC(=CC=C4)Br)[Se](C(=CS3)CCl)(Cl)Cl.[Cl-]

InChI

InChI=1S/C17H12BrCl3N3SSe.ClH/c18-13-6-4-5-12(9-13)16-22-24-17(23(16)14-7-2-1-3-8-14)25-11-15(10-19)26(24,20)21;/h1-9,11H,10H2;1H/q+1;/p-1