Chem
J-GLOBAL ID:200907061476081938   Nikkaji number:J771.146H

5-Chloro-2-[3-[5-chloro-3-ethylbenzothiazole-2(3H)-ylidene]-2-methyl-1-propenyl]-3-ethylbenzothiazolium

5-クロロ-2-[3-[5-クロロ-3-エチルベンゾチアゾール-2(3H)-イリデン]-2-メチル-1-プロペニル]-3-エチ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: C22H21Cl2N[N+]S2
Molecular formula furigana: C22-H21-CL2-N2-S2
Molecular weight: 448.440
InChI: InChI=1S/C22H21Cl2N2S2/c1-4-25-17-12-15(23)6-8-19(17)27-21(25)10-14(3)11-22-26(5-2)18-13-16(24)7-9-20(18)28-22/h6-13H,4-5H2,1-3H3/q+1
InChI key: ZFIWRZHZLXRBIC-UHFFFAOYSA-N
SMILES: CCn1c(=CC(=Cc2sc3ccc(Cl)cc3[n+]2CC)C)sc2ccc(Cl)cc12
Systematic name  (11):
  • 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-メチル-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-メチル-3-(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)-1-プロペニル]-3-エチル-5-クロロベンゾチアゾール-3-イウム
  • 3-エチル-2-[3-[5-クロロ-3-エチルベンゾチアゾール-2(3H)-イリデン]-2-メチル-1-プロペニル]-5-クロロベンゾチアゾール-3-イウム
  • 2-[3-(2,3-ジヒドロ-3-エチル-5-クロロベンゾチアゾール-2-イリデン)-2-メチル-1-プロペニル]-3-エチル-5-クロロベンゾチアゾール-3-イウム
  • 2-[2-メチル-3-[3-エチル-5-クロロベンゾチアゾール-2(3H)-イリデン]-1-プロペニル]-3-エチル-5-クロロベンゾチアゾール-3-イウム
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Other name (9):
  • 2-[3-[(5-Chloro-3-ethyl-2,3-dihydrobenzothiazol)-2-ylidene]-2-methyl-1-propenyl]-5-chloro-3-ethylbenzothiazolium
  • 2-[2-Methyl-3-(3-ethyl-5-chloro-2,3-dihydrobenzothiazole-2-ylidene)-1-propenyl]-3-ethyl-5-chlorobenzothiazole-3-ium
  • 3-Ethyl-2-[3-[5-chloro-3-ethylbenzothiazole-2(3H)-ylidene]-2-methyl-1-propenyl]-5-chlorobenzothiazole-3-ium
  • 2-[3-(2,3-Dihydro-3-ethyl-5-chlorobenzothiazole-2-ylidene)-2-methyl-1-propenyl]-3-ethyl-5-chlorobenzothiazole-3-ium
  • 2-[2-Methyl-3-[3-ethyl-5-chlorobenzothiazole-2(3H)-ylidene]-1-propenyl]-3-ethyl-5-chlorobenzothiazole-3-ium
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