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

Systemtic Name: 5-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(2-bromo-4,5-dimethoxy-phenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-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]-(2-methoxy-5-methyl-phenyl)amine chloride Formula: C24H23BrClN3O3S MolecularWeight: 548.87972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC(=C(C=C3Br)OC)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC(=C(C=C3Br)OC)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H23BrN3O3S.ClH/c1-15-10-11-20(29-2)19(12-15)26-24-27-28(16-8-6-5-7-9-16)23(32-24)17-13-21(30-3)22(31-4)14-18(17)25;/h5-14H,1-4H3,(H,26,27);1H/q+1;/p-1