3-(4-methylphenyl)-2-phenyl-N-(2,4,6-trimethylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide

Systemtic Name: 3-(4-methylphenyl)-2-phenyl-N-(2,4,6-trimethylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: 2-phenyl-3-(p-tolyl)-N-(2,4,6-trimethylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: 3-(4-methylphenyl)-2-phenyl-N-(2,4,6-trimethylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: 3-(4-methylphenyl)-2-phenyl-N-(2,4,6-trimethylphenyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: mesityl-[2-phenyl-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]amine bromide Formula: C24H24BrN3S MolecularWeight: 466.43646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=C(C=C(C=C3C)C)C)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=C(C=C(C=C3C)C)C)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H23N3S.BrH/c1-16-10-12-20(13-11-16)23-26-24(28-27(23)21-8-6-5-7-9-21)25-22-18(3)14-17(2)15-19(22)4;/h5-15H,1-4H3;1H