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

Systemtic Name: 5-(2-bromanyl-4,5-dimethoxy-phenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(2-bromo-4,5-dimethoxy-phenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(2-bromo-4,5-dimethoxyphenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(2-bromo-4,5-dimethoxyphenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(2-bromo-4,5-dimethoxy-phenyl)-4-(4-fluorophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C22H18BrFN3O2S+ MolecularWeight: 487.364623

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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=C(C=C4)F)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrFN3O2S/c1-28-19-12-17(18(23)13-20(19)29-2)21-27(16-10-8-14(24)9-11-16)26-22(30-21)25-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,26)/q+1