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

Systemtic Name: 5-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(2-bromo-4,5-dimethoxy-phenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N-(4-ethylphenyl)-4-phenyl-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]-(4-ethylphenyl)amine Formula: C24H23BrN3O2S+ MolecularWeight: 497.42732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=C(C=C3Br)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=C(C=C3Br)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H23BrN3O2S/c1-4-16-10-12-17(13-11-16)26-24-27-28(18-8-6-5-7-9-18)23(31-24)19-14-21(29-2)22(30-3)15-20(19)25/h5-15H,4H2,1-3H3,(H,26,27)/q+1