Chem
J-GLOBAL ID：200907082389160802
Nikkaji number：J2.521.632F
1-(Dicyanomethylene)-3-(1-cyano-2-oxo-2-isopropoxyethylidene)-2-(1,3-benzodithiol-2-ylidene)indan
1-(ジシアノメチレン)-3-(1-シアノ-2-オキソ-2-イソプロポキシエチリデン)-2-(1,3-ベンゾジチオール-2-イリデン)インダン
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： C25H15N3O2S2
Molecular formula furigana： C25-H15-N3-O2-S2
Molecular weight： 453.530
InChI：
InChI=1S/C25H15N3O2S2/c1-14(2)30-24(29)18(13-28)22-17-8-4-3-7-16(17)21(15(11-26)12-27)23(22)25-31-19-9-5-6-10-20(19)32-25/h3-10,14H,1-2H3
InChI key：
XBSFPMYAWLWXEU-UHFFFAOYSA-N
SMILES：
CC(C)OC(=O)C(=C1C(=C2Sc3ccccc3S2)C(=C(C#N)C#N)c2ccccc12)C#N
Systematic name (4)：
- シアノ[2-(1,3-ベンゾジチオール-2-イリデン)-3-(ジシアノメチレン)-2,3-ジヒドロ-1H-インデン-1-イリデン]酢酸イソプロピル
- 1-(ジシアノメチレン)-3-(1-シアノ-2-オキソ-2-イソプロポキシエチリデン)-2-(1,3-ベンゾジチオール-2-イリデン)インダン
- プロパン-2-イル 2-[2-(2H-1,3-ベンゾジチオール-2-イリデン)-3-(ジシアノメチリデン)-2,3-ジヒドロ-1H-インデン-1-イリデン]-2-シアノアセタート
- propan-2-yl 2-[2-(2H-1,3-benzodithiol-2-ylidene)-3-(dicyanomethylidene)-2,3-dihydro-1H-inden-1-ylidene]-2-cyanoacetate
- Cyano[2-(1,3-benzodithiol-2-ylidene)-3-(dicyanomethylene)-2,3-dihydro-1H-indene-1-ylidene]acetic acid isopropyl ester
- 1-(Dicyanomethylene)-3-(1-cyano-2-oxo-2-isopropoxyethylidene)-2-(1,3-benzodithiol-2-ylidene)indan
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