Chem
J-GLOBAL ID：200907093099324072   Nikkaji number：J883.053C

2-[[3-Ethyl-4-oxo-5-[2-[[3-ethyl-2,3-dihydro-5-(trifluoromethyl)benzothiazol]-2-ylidene]ethylidene]thiazolidin-2-ylidene]methyl]-3-ethyl-4-methylthiazol-3-ium

2-[[3-エチル-4-オキソ-5-[2-[[3-エチル-2,3-ジヒドロ-5-(トリフルオロメチル)ベンゾチアゾール]-2-イリデン]エチリデン]チアゾリジン-2-イリデン]メチル]-3-エチル-4-メチルチアゾール-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： C24H25F3N2[N+]OS3
Molecular formula furigana： C24-H25-F3-N3-O-S3
Molecular weight： 524.660
InChI： InChI=1S/C24H25F3N3OS3/c1-5-28-15(4)14-32-21(28)13-22-30(7-3)23(31)19(34-22)10-11-20-29(6-2)17-12-16(24(25,26)27)8-9-18(17)33-20/h8-14H,5-7H2,1-4H3/q+1
InChI key： MVJONIAKVASVQQ-UHFFFAOYSA-N
SMILES： CCn1c(=CC=c2sc(=Cc3scc(C)[n+]3CC)n(CC)c2=O)sc2ccc(cc12)C(F)(F)F
Systematic name  (3)：
  • 2-[[3-エチル-4-オキソ-5-[2-[[3-エチル-2,3-ジヒドロ-5-(トリフルオロメチル)ベンゾチアゾール]-2-イリデン]エチリデン]チアゾリジン-2-イリデン]メチル]-3-エチル-4-メチルチアゾール-3-イウム
  • 3-エチル-2-[(3-エチル-5-{2-[3-エチル-5-(トリフルオロメチル)-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン]エチリデン}-4-オキソ-1,3-チアゾリジン-2-イリデン)メチル]-4-メチル-1,3-チアゾール-3-イウム
  • 3-ethyl-2-[(3-ethyl-5-{2-[3-ethyl-5-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-4-oxo-1,3-thiazolidin-2-ylidene)methyl]-4-methyl-1,3-thiazol-3-ium
Other name (1)：
  • 2-[[3-Ethyl-4-oxo-5-[2-[[3-ethyl-2,3-dihydro-5-(trifluoromethyl)benzothiazol]-2-ylidene]ethylidene]thiazolidin-2-ylidene]methyl]-3-ethyl-4-methylthiazol-3-ium
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