Chem
J-GLOBAL ID：201307073779441130   Nikkaji number：J3.212.591C

3-Ethyl-1-phenyl-5-(benzothiazole-2-yl)-2-[2-(methylphenylamino)ethenyl]-1H-benzoimidazole-3-ium

3-エチル-1-フェニル-5-(ベンゾチアゾール-2-イル)-2-[2-(メチルフェニルアミノ)エテニル]-1H-ベンゾイミダゾール-3-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C31H27N3[N+]S
Molecular formula furigana： C31-H27-N4-S
Molecular weight： 487.640
InChI： InChI=1S/C31H27N4S/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24/h4-22H,3H2,1-2H3/q+1
InChI key： OTHITMYLBRCVIT-UHFFFAOYSA-N
SMILES： CC[n+]1c(C=CN(C)c2ccccc2)n(c2ccccc2)c2ccc(cc12)c1nc2ccccc2s1
Systematic name  (3)：
  • 3-エチル-1-フェニル-5-(ベンゾチアゾール-2-イル)-2-[2-(メチルフェニルアミノ)エテニル]-1H-ベンゾイミダゾール-3-イウム
  • 5-(1,3-ベンゾチアゾール-2-イル)-3-エチル-2-{2-[メチル(フェニル)アミノ]エテニル}-1-フェニル-1H-1,3-ベンゾジアゾール-3-イウム
  • 5-(1,3-benzothiazol-2-yl)-3-ethyl-2-{2-[methyl(phenyl)amino]ethenyl}-1-phenyl-1H-1,3-benzodiazol-3-ium
Other name (1)：
  • 3-Ethyl-1-phenyl-5-(benzothiazole-2-yl)-2-[2-(methylphenylamino)ethenyl]-1H-benzoimidazole-3-ium
Thsaurus map：
Thesaurus Map

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