Chem
J-GLOBAL ID:200907027021893205   Nikkaji number:J2.539.719C

4-[2-Thioxo-3,3-dimethyl-4-thiomorpholino-5-(tert-butylimino)pyrrolidine-1-yl]benzonitrile

4-[2-チオキソ-3,3-ジメチル-4-チオモルホリノ-5-(tert-ブチルイミノ)ピロリジン-1-イル]ベンゾニトリル
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: C21H28N4S2
Molecular formula furigana: C21-H28-N4-S2
Molecular weight: 400.600
InChI: InChI=1S/C21H28N4S2/c1-20(2,3)23-18-17(24-10-12-27-13-11-24)21(4,5)19(26)25(18)16-8-6-15(14-22)7-9-16/h6-9,17H,10-13H2,1-5H3
InChI key: MAHTYPNFOQDNOD-UHFFFAOYSA-N
SMILES: CC(C)(C)N=C1C(N2CCSCC2)C(C)(C)C(=S)N1c1ccc(cc1)C#N
Systematic name  (3):
  • 4-[2-チオキソ-3,3-ジメチル-4-チオモルホリノ-5-(tert-ブチルイミノ)ピロリジン-1-イル]ベンゾニトリル
  • 4-[5-(tert-ブチルイミノ)-3,3-ジメチル-2-スルファニリデン-4-(チオモルホリン-4-イル)ピロリジン-1-イル]ベンゾニトリル
  • 4-[5-(tert-butylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile
Other name (1):
  • 4-[2-Thioxo-3,3-dimethyl-4-thiomorpholino-5-(tert-butylimino)pyrrolidine-1-yl]benzonitrile
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