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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=[N+](S2)C3=CC=CC=C3OC)C4=CC=CC=C4OC.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=[N+](S2)C3=CC=CC=C3OC)C4=CC=CC=C4OC.[Br-]

InChI

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