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Substance Name: Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, bromide (1:1)
RN: 69766-80-9
InChIKey: YGIDDLBDMNEECL-UHFFFAOYSA-M

Molecular Formula

  • C21-H21-N2-S2.Br

Molecular Weight

  • 445.447
 
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Names and Synonyms

Synonyms

  • 2-(2-Ethyl-3-(3-methyl-2-benzothiazolylidene)propenyl)-3-methylbenzothiazolium bromide
  • EINECS 274-107-8

Systematic Names

  • 3-Methyl-2-(2-((3-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)benzothiazolium bromide
  • Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, bromide (1:1)
  • Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, bromide

Registry Numbers

CAS Registry Number

  • 69766-80-9

System Generated Number

  • 0069766809

Molecular Formulas

Molecular Formula

  • C21-H21-N2-S2.Br

Molecular Formula Fragments

  • Br
  • C21-H21-N2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21N2S2.BrH/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;/h5-14H,4H2,1-3H3;1H/q+1;/p-1

InChIKey

YGIDDLBDMNEECL-UHFFFAOYSA-M

Smiles

s1c([n+](c2c1cccc2)C)\C=C(\CC)\C=C1\Sc2c(N1C)cccc2.[BrH-]