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

Systemtic Name: 2,3-bis(2-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: 2,3-bis(2-methoxyphenyl)-N-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: 2,3-bis(2-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: 2,3-bis(2-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: [2,3-bis(2-methoxyphenyl)-1,2,4-thiadiazol-2-ium-5-yl]-(p-tolyl)amine bromide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=[N+](S2)C3=CC=CC=C3OC)C4=CC=CC=C4OC.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=[N+](S2)C3=CC=CC=C3OC)C4=CC=CC=C4OC.[Br-]

InChI

InChI=1S/C23H21N3O2S.BrH/c1-16-12-14-17(15-13-16)24-23-25-22(18-8-4-6-10-20(18)27-2)26(29-23)19-9-5-7-11-21(19)28-3;/h4-15H,1-3H3;1H