Chem
J-GLOBAL ID：200907072579852020   Nikkaji number：J1.670.945J

CS-758

CS-758
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： C27H25F3N4O3S
Molecular formula furigana： C27-H25-F3-N4-O3-S
Molecular weight： 542.580
InChI： InChI=1S/C27H25F3N4O3S/c1-18(27(35,15-34-17-32-16-33-34)23-9-8-21(28)11-25(23)30)38-22-13-36-26(37-14-22)5-3-2-4-20-7-6-19(12-31)10-24(20)29/h2-11,16-18,22,26,35H,13-15H2,1H3/t18-,22-,26-,27+/m0/s1
InChI key： XSRKBFUVSRRJDX-LMYGVBDGSA-N
SMILES： C[C@H](S[C@H]1CO[C@@H](OC1)C=CC=Cc1ccc(cc1F)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • (2R,3S)-3-[[2α-[4-(4-シアノ-2-フルオロフェニル)-1,3-ブタジエニル]-1,3-ジオキサン-5β-イル]チオ]-2-(2,4-ジフルオロフェニル)-1-(1H-1,2,4-トリアゾール-1-イル)-2-ブタノール
  • 3-フルオロ-4-{4-[(2r,5r)-5-{[(2S,3R)-3-(2,4-ジフルオロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]スルファニル}-1,3-ジオキサン-2-イル]ブタ-1,3-ジエン-1-イル}ベンゾニトリル
  • 3-fluoro-4-{4-[(2r,5r)-5-{[(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]sulfanyl}-1,3-dioxan-2-yl]buta-1,3-dien-1-yl}benzonitrile
Other name (3)：
  • (2R,3S)-3-[[2α-[4-(4-Cyano-2-fluorophenyl)-1,3-butadienyl]-1,3-dioxane-5β-yl]thio]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazole-1-yl)-2-butanol
  • CS-758
  • R-120758
Thsaurus map：
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