Chem
J-GLOBAL ID：200907052702358310   Nikkaji number：J1.846.760G

RO-0094815

4-[2-[1-メチル-2-ヒドロキシ-2-(2,5-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-4-チアゾリル]ベンゾニトリル
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： C22H17F2N5OS
Molecular formula furigana： C22-H17-F2-N5-O-S
Molecular weight： 437.470
InChI： InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3
InChI key： DDFOUSQFMYRUQK-UHFFFAOYSA-N
SMILES： CC(c1nc(cs1)c1ccc(cc1)C#N)C(O)(Cn1cncn1)c1cc(F)ccc1F
Systematic name  (3)：
  • 4-[2-[1-メチル-2-ヒドロキシ-2-(2,5-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-4-チアゾリル]ベンゾニトリル
  • 4-{2-[3-(2,5-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]-1,3-チアゾール-4-イル}ベンゾニトリル
  • 4-{2-[3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
Other name (2)：
  • 4-[2-[1-Methyl-2-hydroxy-2-(2,5-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-4-thiazolyl]benzonitrile
  • RO-0094815
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