Chem
J-GLOBAL ID：200907062951640226   Nikkaji number：J1.439.587C

2-[4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-5,6-dihydro-4H-1,3-dithiolo[4,5-c]pyrrole

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]-5-[2-(テトラヒドロ-2H-ピラン-2-イルオキシ)エチル]-5,6-ジヒドロ-4H-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： C21H25N3O2S6
Molecular formula furigana： C21-H25-N3-O2-S6
Molecular weight： 543.810
InChI： InChI=1S/C21H25N3O2S6/c22-6-3-11-27-18-19(28-12-4-7-23)32-21(31-18)20-29-15-13-24(14-16(15)30-20)8-10-26-17-5-1-2-9-25-17/h17H,1-5,8-14H2
InChI key： PJZSBPAVANNDPL-UHFFFAOYSA-N
SMILES： N#CCCSC1=C(SCCC#N)S/C(=C\2/SC3=C(CN(CCOC4CCCCO4)C3)S2)/S1
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]-5-[2-(テトラヒドロ-2H-ピラン-2-イルオキシ)エチル]-5,6-ジヒドロ-4H-1,3-ジチオロ[4,5-c]ピロール
  • 3-({5-[(2-シアノエチル)スルファニル]-2-{5-[2-(オキサン-2-イルオキシ)エチル]-2H,4H,5H,6H-[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-(oxan-2-yloxy)ethyl]-2H,4H,5H,6H-[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]-5-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-5,6-dihydro-4H-1,3-dithiolo[4,5-c]pyrrole
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