N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide

Systemtic Name: N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: N-(4-methoxyphenyl)-3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: (4-methoxyphenyl)-[3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]amine bromide Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(N=C(S2)NC3=CC=C(C=C3)OC)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(N=C(S2)NC3=CC=C(C=C3)OC)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H19N3OS.BrH/c1-16-8-12-19(13-9-16)25-21(17-6-4-3-5-7-17)24-22(27-25)23-18-10-14-20(26-2)15-11-18;/h3-15H,1-2H3;1H