5-(2-bromanyl-4,5-dimethoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 5-(2-bromanyl-4,5-dimethoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(2-bromo-4,5-dimethoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(2-bromo-4,5-dimethoxy-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C22H19BrClN3O2S MolecularWeight: 504.82716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4)Br)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4)Br)OC.[Cl-]

InChI

InChI=1S/C22H19BrN3O2S.ClH/c1-27-19-13-17(18(23)14-20(19)28-2)21-26(16-11-7-4-8-12-16)25-22(29-21)24-15-9-5-3-6-10-15;/h3-14H,1-2H3,(H,24,25);1H/q+1;/p-1