Chem
J-GLOBAL ID：200907002356333791   Nikkaji number：J407.335E

(αS)-α-[2-(4-Chlorophenyl)ethyl]-α-tert-butyl-1H-1,2,4-triazole-1-ethanol

(αS)-α-[2-(4-クロロフェニル)エチル]-α-tert-ブチル-1H-1,2,4-トリアゾール-1-エタノール
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： C16H22ClN3O
Molecular formula furigana： C16-H22-CL-N3-O
Molecular weight： 307.820
InChI： InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1
InChI key： PXMNMQRDXWABCY-MRXNPFEDSA-N
SMILES： CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)Cn1cncn1
Systematic name  (3)：
  • (αS)-α-[2-(4-クロロフェニル)エチル]-α-tert-ブチル-1H-1,2,4-トリアゾール-1-エタノール
  • (3S)-1-(4-クロロフェニル)-4,4-ジメチル-3-[(1H-1,2,4-トリアゾール-1-イル)メチル]ペンタン-3-オール
  • (3S)-1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol
Other name (1)：
  • (αS)-α-[2-(4-Chlorophenyl)ethyl]-α-tert-butyl-1H-1,2,4-triazole-1-ethanol
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