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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=[N+](S2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=[N+](S2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

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