Chem
J-GLOBAL ID：200907079502290725
Nikkaji number：J273.930E
3-Ethyl-2-[(1E,3E,5Z)-5-[(3-ethyl-2,3-dihydrobenzothiazol)-2-ylidene]-1,3-pentadienyl]benzothiazol-1-ium
3-エチル-2-[(1E,3E,5Z)-5-[(3-エチル-2,3-ジヒドロベンゾチアゾール)-2-イリデン]-1,3-ペンタジエニル]ベンゾチアゾール-1-イウム
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
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
Molecular formula： C23H23N2S[S+]
Molecular formula furigana： C23-H23-N2-S2
Molecular weight： 391.570
InChI：
InChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1
InChI key：
FYXWDSGGZAMYFZ-UHFFFAOYSA-N
SMILES：
CCn1/c(=C/C=C/C=C/c2[s+]c3ccccc3n2CC)/sc2ccccc12
Systematic name (3)：
- 3-エチル-2-[(1E,3E,5Z)-5-[(3-エチル-2,3-ジヒドロベンゾチアゾール)-2-イリデン]-1,3-ペンタジエニル]ベンゾチアゾール-1-イウム
- 3-エチル-2-[(1E,3E)-5-[(2Z)-3-エチル-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン]ペンタ-1,3-ジエン-1-イル]-3H-1λ4,3-ベンゾチアゾール-1-イリウム
- 3-ethyl-2-[(1E,3E)-5-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-3H-1λ4,3-benzothiazol-1-ylium
- 3-Ethyl-2-[(1E,3E,5Z)-5-[(3-ethyl-2,3-dihydrobenzothiazol)-2-ylidene]-1,3-pentadienyl]benzothiazol-1-ium
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