Chem
J-GLOBAL ID：200907081700572188   Nikkaji number：J264.769I

3-Ethyl-5-chloro-2-[2-[3-ethyl-5-chlorobenzothiazole-2(3H)-ylidenemethyl]-1-butenyl]benzothiazolium

3-エチル-5-クロロ-2-[2-[3-エチル-5-クロロベンゾチアゾール-2(3H)-イリデンメチル]-1-ブテニル]ベンゾチアゾリウム
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： C23H23Cl2N[N+]S2
Molecular formula furigana： C23-H23-CL2-N2-S2
Molecular weight： 462.470
InChI： InChI=1S/C23H23Cl2N2S2/c1-4-15(11-22-26(5-2)18-13-16(24)7-9-20(18)28-22)12-23-27(6-3)19-14-17(25)8-10-21(19)29-23/h7-14H,4-6H2,1-3H3/q+1
InChI key： UDTPPSQDGFXXKS-UHFFFAOYSA-N
SMILES： CCn1c(=CC(=Cc2sc3ccc(Cl)cc3[n+]2CC)CC)sc2ccc(Cl)cc12
Systematic name  (15)：
  • 2-[2-[[3-エチル-5-クロロベンゾチアゾール-2(3H)-イリデン]メチル]-1-ブテニル]-3-エチル-5-クロロベンゾチアゾール-3-イウム
  • 2-[2-[3-エチル-5-クロロベンゾチアゾール-2(3H)-イリデンメチル]-1-ブテニル]-3-エチル-5-クロロベンゾチアゾール-3-イウム
  • 2-[3-[(5-クロロ-3-エチル-2,3-ジヒドロベンゾチアゾール)-2-イリデン]-2-エチル-1-プロペニル]-5-クロロ-3-エチルベンゾチアゾリウム
  • 2-[2-[(3-エチル-5-クロロ-2,3-ジヒドロベンゾチアゾール)-2-イリデンメチル]-1-ブテニル]-3-エチル-5-クロロベンゾチアゾール-3-イウム
  • [5-クロロ-3-エチル-2-[2-[[(5-クロロ-3-エチル-2,3-ジヒドロベンゾチアゾール)-2-イリデン]メチル]-1-ブテニル]ベンゾチアゾール]-3-イウム
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Other name (8)：
  • 5-Chloro-2-[2-[(5-chloro-3-ethylbenzothiazol-2(3H)-ylidene)methyl]-1-butenyl]-3-ethylbenzothiazol-3-ium
  • 2-[2-[5-Chloro-3-ethylbenzothiazole-2(3H)-ylidenemethyl]-1-butenyl]-5-chloro-3-ethylbenzothiazole-3-ium
  • 3-Ethyl-5-chloro-2-[2-[3-ethyl-5-chlorobenzothiazole-2(3H)-ylidenemethyl]-1-butenyl]benzothiazolium
  • 5-Chloro-2-[2-[3-ethyl-5-chlorobenzothiazole-2(3H)-ylidenemethyl]-1-butenyl]-3-ethylbenzothiazole-3-ium
  • 2-[3-(5-Chloro-3-ethyl-2,3-dihydrobenzothiazole-2-ylidene)-2-ethyl-1-propenyl]-5-chloro-3-ethylbenzothiazole-3-ium
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