Chem
J-GLOBAL ID：200907048596176782
Nikkaji number：J1.589.165C
NNC-11-1585
3,3′-[1,4-フェニレンビス[(2-プロピン-3,1-ジイル)オキシ]]ビス[4-(1-アザビシクロ[2.2.2]オクタン-3-イル)-1,2,5-チアジアゾール]
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： C30H32N6O2S2
Molecular formula furigana： C30-H32-N6-O2-S2
Molecular weight： 572.750
InChI：
InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2
InChI key：
ROEXPZFFOZZHOY-UHFFFAOYSA-N
SMILES：
C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2
Systematic name (3)：
- 3,3′-[1,4-フェニレンビス[(2-プロピン-3,1-ジイル)オキシ]]ビス[4-(1-アザビシクロ[2.2.2]オクタン-3-イル)-1,2,5-チアジアゾール]
- 3-(4-{[3-(4-{3-[(4-{1-アザビシクロ[2.2.2]オクタン-3-イル}-1,2,5-チアジアゾール-3-イル)オキシ]プロパ-1-イン-1-イル}フェニル)プロパ-2-イン-1-イル]オキシ}-1,2,5-チアジアゾール-3-イル)-1-アザビシクロ[2.2.2]オクタン
- 3-(4-{[3-(4-{3-[(4-{1-azabicyclo[2.2.2]octan-3-yl}-1,2,5-thiadiazol-3-yl)oxy]prop-1-yn-1-yl}phenyl)prop-2-yn-1-yl]oxy}-1,2,5-thiadiazol-3-yl)-1-azabicyclo[2.2.2]octane
- 3,3′-[1,4-Phenylenebis[(2-propyne-3,1-diyl)oxy]]bis[4-(1-azabicyclo[2.2.2]octane-3-yl)-1,2,5-thiadiazole]
- NNC-11-1585
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