Chem
J-GLOBAL ID：200907008493789148
Nikkaji number：J984.365E
α-(1,3-Dithiepane-2-ylidene)-3H-imidazo[4,5-b]pyridine-2-acetonitrile
α-(1,3-ジチエパン-2-イリデン)-3H-イミダゾ[4,5-b]ピリジン-2-アセトニトリル
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： C13H12N4S2
Molecular formula furigana： C13-H12-N4-S2
Molecular weight： 288.390
InChI：
InChI=1S/C13H12N4S2/c14-8-9(13-18-6-1-2-7-19-13)11-16-10-4-3-5-15-12(10)17-11/h3-5H,1-2,6-7H2,(H,15,16,17)
InChI key：
IDRMIBMHDZCIJE-UHFFFAOYSA-N
SMILES：
N#CC(=C1SCCCCS1)c1nc2cccnc2[nH]1
Systematic name (3)：
- α-(1,3-ジチエパン-2-イリデン)-3H-イミダゾ[4,5-b]ピリジン-2-アセトニトリル
- 2-(1,3-ジチエパン-2-イリデン)-2-{3H-イミダゾ[4,5-b]ピリジン-2-イル}アセトニトリル
- 2-(1,3-dithiepan-2-ylidene)-2-{3H-imidazo[4,5-b]pyridin-2-yl}acetonitrile
- α-(1,3-Dithiepane-2-ylidene)-3H-imidazo[4,5-b]pyridine-2-acetonitrile
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