5-bromanyl-6-[(4-methylphenyl)sulfanylmethyl]-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide

Systemtic Name: 5-bromanyl-6-[(4-methylphenyl)sulfanylmethyl]-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide Openeye Name: 5-bromo-6-(p-tolylsulfanylmethyl)-7H-imidazo[2,1-b]thiazol-4-ium bromide CAS Name: 5-bromo-6-[[(4-methylphenyl)thio]methyl]-7H-imidazo[2,1-b]thiazol-4-ium bromide IUPAC Name: 5-bromo-6-[(4-methylphenyl)sulfanylmethyl]-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide Traditional Name: 5-bromo-6-[(p-tolylthio)methyl]-7H-imidazo[2,1-b]thiazol-4-ium bromide Formula: C13H12Br2N2S2 MolecularWeight: 420.18578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C([N+]3=C(N2)SC=C3)Br.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C([N+]3=C(N2)SC=C3)Br.[Br-]

InChI

InChI=1S/C13H11BrN2S2.BrH/c1-9-2-4-10(5-3-9)18-8-11-12(14)16-6-7-17-13(16)15-11;/h2-7H,8H2,1H3;1H