Chem
J-GLOBAL ID：200907084504262315   Nikkaji number：J1.439.583K

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

2-[4,5-ビス(2-シアノエチルチオ)-1,3-ジチオール-2-イリデン]-5H-1,3-ジチオロ[4,5-c]ピロール-5-エタノール
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： C16H15N3OS6
Molecular formula furigana： C16-H15-N3-O-S6
Molecular weight： 457.680
InChI： InChI=1S/C16H15N3OS6/c17-3-1-7-21-13-14(22-8-2-4-18)26-16(25-13)15-23-11-9-19(5-6-20)10-12(11)24-15/h9-10,20H,1-2,5-8H2
InChI key： ZDQGHFUYVSXYCN-UHFFFAOYSA-N
SMILES： OCCn1cc2sc(=C3SC(=C(SCCC#N)S3)SCCC#N)sc2c1
Systematic name  (3)：
  • 2-[4,5-ビス(2-シアノエチルチオ)-1,3-ジチオール-2-イリデン]-5H-1,3-ジチオロ[4,5-c]ピロール-5-エタノール
  • 3-({5-[(2-シアノエチル)スルファニル]-2-[5-(2-ヒドロキシエチル)-2H,5H-[1,3]ジチオロ[4,5-c]ピロール-2-イリデン]-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-({5-[(2-cyanoethyl)sulfanyl]-2-[5-(2-hydroxyethyl)-2H,5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile
Other name (1)：
  • 2-[4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5H-1,3-dithiolo[4,5-c]pyrrole-5-ethanol
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