Chem
J-GLOBAL ID：200907023056992790   Nikkaji number：J1.439.585G

2-[4-(Methylthio)-5-(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5-tosyl-5H-1,3-dithiolo[4,5-c]pyrrole

2-[4-(メチルチオ)-5-(2-シアノエチルチオ)-1,3-ジチオール-2-イリデン]-5-トシル-5H-1,3-ジチオロ[4,5-c]ピロール
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： C19H16N2O2S7
Molecular formula furigana： C19-H16-N2-O2-S7
Molecular weight： 528.770
InChI： InChI=1S/C19H16N2O2S7/c1-12-4-6-13(7-5-12)30(22,23)21-10-14-15(11-21)27-18(26-14)19-28-16(24-2)17(29-19)25-9-3-8-20/h4-7,10-11H,3,9H2,1-2H3
InChI key： OKPVYWKKXLJUBT-UHFFFAOYSA-N
SMILES： CSC1=C(SCCC#N)SC(=c2sc3cn(cc3s2)S(=O)(=O)c2ccc(C)cc2)S1
Systematic name  (4)：
  • 2-[4-(メチルチオ)-5-(2-シアノエチルチオ)-1,3-ジチオール-2-イリデン]-5-トシル-5H-1,3-ジチオロ[4,5-c]ピロール
  • 3-(2-(5-トシル-5H-1,3-ジチオロ[4,5-c]ピロール-2-イリデン)-5-メチルチオ-1,3-ジチオール-4-イルチオ)プロパンニトリル
  • 3-({2-[5-(4-メチルベンゼンスルホニル)-2H,5H-[1,3]ジチオロ[4,5-c]ピロール-2-イリデン]-5-(メチルスルファニル)-2H-1,3-ジチオール-4-イル}スルファニル)プロパンニトリル
  • 3-({2-[5-(4-methylbenzenesulfonyl)-2H,5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-5-(methylsulfanyl)-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile
Other name (2)：
  • 2-[4-(Methylthio)-5-(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5-tosyl-5H-1,3-dithiolo[4,5-c]pyrrole
  • 3-(2-(5-Tosyl-5H-1,3-dithiolo[4,5-c]pyrrole-2-ylidene)-5-methylthio-1,3-dithiol-4-ylthio)propanenitrile
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