Chem
J-GLOBAL ID:200907016329382544   Nikkaji number:J964.260I

N-[(1R,2R)-1-Methyl-2-hydroxy-2-[4-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)propyl]-2-(4-cyanophenyl)-4-methylthiazole-5-carboxamide

N-[(1R,2R)-1-メチル-2-ヒドロキシ-2-[4-(トリフルオロメチル)フェニル]-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-2-(4-シアノフェニル)-4-メチルチアゾール-5-カルボアミド
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: C25H21F3N6O2S
Molecular formula furigana: C25-H21-F3-N6-O2-S
Molecular weight: 526.540
InChI: InChI=1S/C25H21F3N6O2S/c1-15-21(37-23(32-15)18-5-3-17(11-29)4-6-18)22(35)33-16(2)24(36,12-34-14-30-13-31-34)19-7-9-20(10-8-19)25(26,27)28/h3-10,13-14,16,36H,12H2,1-2H3,(H,33,35)/t16-,24-/m1/s1
InChI key: ANQNWUDSLXKKDM-VOIUYBSRSA-N
SMILES: C[C@@H](NC(=O)c1sc(nc1C)c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1ccc(cc1)C(F)(F)F
Systematic name  (3):
  • N-[(1R,2R)-1-メチル-2-ヒドロキシ-2-[4-(トリフルオロメチル)フェニル]-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-2-(4-シアノフェニル)-4-メチルチアゾール-5-カルボアミド
  • 2-(4-シアノフェニル)-N-[(2R,3R)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)-3-[4-(トリフルオロメチル)フェニル]ブタン-2-イル]-4-メチル-1,3-チアゾール-5-カルボキサミド
  • 2-(4-cyanophenyl)-N-[(2R,3R)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
Other name (1):
  • N-[(1R,2R)-1-Methyl-2-hydroxy-2-[4-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)propyl]-2-(4-cyanophenyl)-4-methylthiazole-5-carboxamide
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