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

Systemtic Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: [3-(4-methoxyphenyl)-2-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-phenyl-amine bromide Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H17N3OS.BrH/c1-25-19-14-12-16(13-15-19)20-23-21(22-17-8-4-2-5-9-17)26-24(20)18-10-6-3-7-11-18;/h2-15H,1H3;1H