Chem
J-GLOBAL ID：201107081295128583   Nikkaji number：J2.916.695A

2-(5,6-Diphenyl-1,2,4-triazine-3-ylthiomethyl)-5-(β-D-glucopyranosylthio)-1,3,4-oxadiazole

2-(5,6-ジフェニル-1,2,4-トリアジン-3-イルチオメチル)-5-(β-D-グルコピラノシルチオ)-1,3,4-オキサジアゾール
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： C24H23N5O6S2
Molecular formula furigana： C24-H23-N5-O6-S2
Molecular weight： 541.600
InChI： InChI=1S/C24H23N5O6S2/c30-11-15-19(31)20(32)21(33)22(34-15)37-24-29-26-16(35-24)12-36-23-25-17(13-7-3-1-4-8-13)18(27-28-23)14-9-5-2-6-10-14/h1-10,15,19-22,30-33H,11-12H2/t15-,19-,20+,21-,22+/m1/s1
InChI key： UCHZRHDRMOYXLQ-JLMLEOCNSA-N
SMILES： OC[C@H]1O[C@@H](Sc2nnc(CSc3nnc(c4ccccc4)c(n3)c3ccccc3)o2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(5,6-ジフェニル-1,2,4-トリアジン-3-イルチオメチル)-5-(β-D-グルコピラノシルチオ)-1,3,4-オキサジアゾール
  • (2S,3R,4S,5S,6R)-2-[(5-{[(5,6-ジフェニル-1,2,4-トリアジン-3-イル)スルファニル]メチル}-1,3,4-オキサジアゾール-2-イル)スルファニル]-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-[(5-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 2-(5,6-Diphenyl-1,2,4-triazine-3-ylthiomethyl)-5-(β-D-glucopyranosylthio)-1,3,4-oxadiazole
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