Chem
J-GLOBAL ID：200907085212991711   Nikkaji number：J883.052E

2-[[3-Methyl-4-oxo-5-[2-[(3-ethyl-2,3-dihydrobenzoxazol)-2-ylidene]ethylidene]thiazolidin-2-ylidene]methyl]-3-ethylbenzothiazol-3-ium

2-[[3-メチル-4-オキソ-5-[2-[(3-エチル-2,3-ジヒドロベンゾオキサゾール)-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-エチルベンゾチアゾール-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： C25H24N2[N+]O2S2
Molecular formula furigana： C25-H24-N3-O2-S2
Molecular weight： 462.610
InChI： InChI=1S/C25H24N3O2S2/c1-4-27-17-10-6-8-12-19(17)30-22(27)15-14-21-25(29)26(3)23(32-21)16-24-28(5-2)18-11-7-9-13-20(18)31-24/h6-16H,4-5H2,1-3H3/q+1
InChI key： HNGYRDSKZGHKMK-UHFFFAOYSA-N
SMILES： CCn1c(=CC=c2sc(=Cc3sc4ccccc4[n+]3CC)n(C)c2=O)oc2ccccc12
Systematic name  (3)：
  • 2-[[3-メチル-4-オキソ-5-[2-[(3-エチル-2,3-ジヒドロベンゾオキサゾール)-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-エチルベンゾチアゾール-3-イウム
  • 3-エチル-2-({5-[2-(3-エチル-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-イリデン)エチリデン]-3-メチル-4-オキソ-1,3-チアゾリジン-2-イリデン}メチル)-1,3-ベンゾチアゾール-3-イウム
  • 3-ethyl-2-({5-[2-(3-ethyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-1,3-benzothiazol-3-ium
Other name (1)：
  • 2-[[3-Methyl-4-oxo-5-[2-[(3-ethyl-2,3-dihydrobenzoxazol)-2-ylidene]ethylidene]thiazolidin-2-ylidene]methyl]-3-ethylbenzothiazol-3-ium
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