4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-bromanyl-2-methyl-1,3-thiazol-3-ium bromide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-bromanyl-2-methyl-1,3-thiazol-3-ium bromide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-bromo-2-methyl-thiazol-3-ium bromide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-5-bromo-2-methylthiazol-3-ium bromide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-bromo-2-methyl-1,3-thiazol-3-ium bromide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-5-bromo-2-methyl-thiazol-3-ium bromide Formula: C12H11Br2N3S2 MolecularWeight: 421.17384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(S1)Br)CSC2=NC3=CC=CC=C3N2.[Br-]

Isomeric SMILES

CC1=[NH+]C(=C(S1)Br)CSC2=NC3=CC=CC=C3N2.[Br-]

InChI

InChI=1S/C12H10BrN3S2.BrH/c1-7-14-10(11(13)18-7)6-17-12-15-8-4-2-3-5-9(8)16-12;/h2-5H,6H2,1H3,(H,15,16);1H