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

Systemtic Name: N,2,3-tris(2-methoxyphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: N,2,3-tris(2-methoxyphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: N,2,3-tris(2-methoxyphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: N,2,3-tris(2-methoxyphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: [2,3-bis(2-methoxyphenyl)-1,2,4-thiadiazol-2-ium-5-yl]-(2-methoxyphenyl)amine bromide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=[N+](SC(=N2)NC3=CC=CC=C3OC)C4=CC=CC=C4OC.[Br-]

Isomeric SMILES

COC1=CC=CC=C1C2=[N+](SC(=N2)NC3=CC=CC=C3OC)C4=CC=CC=C4OC.[Br-]

InChI

InChI=1S/C23H21N3O3S.BrH/c1-27-19-13-7-4-10-16(19)22-25-23(24-17-11-5-8-14-20(17)28-2)30-26(22)18-12-6-9-15-21(18)29-3;/h4-15H,1-3H3;1H