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

Systemtic Name: 5-(2-bromanyl-4,5-dimethoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(2-bromo-4,5-dimethoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(2-bromo-4,5-dimethoxy-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C22H19BrN3O2S+ MolecularWeight: 469.37416

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN3O2S/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)/q+1