Chem
J-GLOBAL ID:200907014362342091
Nikkaji number:J1.714.647E
2-Methyl-4-[7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole-4-yl]-3-butyne-2-ol
2-メチル-4-[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-イル]-3-ブチン-2-オール
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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:
C23 H24 N2 OS2
Molecular formula furigana:
C23-H24-N2-O-S2
Molecular weight:
408.580
InChI:
InChI=1S/C23H24N2OS2/c1-4-5-6-7-8-17-14-16-27-20(17)12-11-18-9-10-19(13-15-23(2,3)26)22-21(18)24-28-25-22/h9-10,14,16,26H,4-8H2,1-3H3
InChI key:
MEIVCDVIEQUXFW-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccsc1C#Cc1ccc(C#CC(C)(C)O)c2nsnc12
Systematic name (3):
2-メチル-4-[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-イル]-3-ブチン-2-オール
4-{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-イル}-2-メチルブタ-3-イン-2-オール
4-{7-[2-(3-hexylthiophen-2-yl)ethynyl]-2,1,3-benzothiadiazol-4-yl}-2-methylbut-3-yn-2-ol
Other name (1):
2-Methyl-4-[7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole-4-yl]-3-butyne-2-ol
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