Chem
J-GLOBAL ID:200907085748347505
Nikkaji number:J1.714.649A
4-Ethynyl-7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole
4-エチニル-7-(3-ヘキシル-2-チエニルエチニル)-2,1,3-ベンゾチアジアゾール
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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:
C20 H18 N2 S2
Molecular formula furigana:
C20-H18-N2-S2
Molecular weight:
350.500
InChI:
InChI=1S/C20H18N2S2/c1-3-5-6-7-8-16-13-14-23-18(16)12-11-17-10-9-15(4-2)19-20(17)22-24-21-19/h2,9-10,13-14H,3,5-8H2,1H3
InChI key:
PMDRAAWEKUXRLM-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccsc1C#Cc1ccc(C#C)c2nsnc12
Systematic name (3):
4-エチニル-7-(3-ヘキシル-2-チエニルエチニル)-2,1,3-ベンゾチアジアゾール
4-エチニル-7-[2-(3-ヘキシルチオフェン-2-イル)エチニル]-2,1,3-ベンゾチアジアゾール
4-ethynyl-7-[2-(3-hexylthiophen-2-yl)ethynyl]-2,1,3-benzothiadiazole
Other name (1):
4-Ethynyl-7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole
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