Chem
J-GLOBAL ID：200907027041681522   Nikkaji number：J1.846.740B

1-[(2R,3R)-2-Hydroxy-2-(2,5-difluorophenyl)-3-[4-(4-cyanophenyl)-2-thiazolyl]butyl]-4-[N-methyl-N-(2-acetoxyethyl)carbamoyloxymethyl]-1H-1,2,4-triazole-4-ium

1-[(2R,3R)-2-ヒドロキシ-2-(2,5-ジフルオロフェニル)-3-[4-(4-シアノフェニル)-2-チアゾリル]ブチル]-4-[N-メチル-N-(2-アセトキシエチル)カルバモイルオキシメチル]-1H-1,2,4-トリアゾール-4-イウム
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： C29H29F2N5[N+]O5S
Molecular formula furigana： C29-H29-F2-N6-O5-S
Molecular weight： 611.640
InChI： InChI=1S/C29H29F2N6O5S/c1-19(27-34-26(14-43-27)22-6-4-21(13-32)5-7-22)29(40,24-12-23(30)8-9-25(24)31)15-37-17-36(16-33-37)18-42-28(39)35(3)10-11-41-20(2)38/h4-9,12,14,16-17,19,40H,10-11,15,18H2,1-3H3/q+1/t19-,29+/m0/s1
InChI key： BYUNSGACZHXSHK-ADXZGYQBSA-N
SMILES： C[C@@H](c1nc(cs1)c1ccc(cc1)C#N)[C@](O)(Cn1c[n+](COC(=O)N(C)CCOC(=O)C)cn1)c1cc(F)ccc1F
Systematic name  (3)：
  • 1-[(2R,3R)-2-ヒドロキシ-2-(2,5-ジフルオロフェニル)-3-[4-(4-シアノフェニル)-2-チアゾリル]ブチル]-4-[N-メチル-N-(2-アセトキシエチル)カルバモイルオキシメチル]-1H-1,2,4-トリアゾール-4-イウム
  • 4-[({[2-(アセチルオキシ)エチル](メチル)カルバモイル}オキシ)メチル]-1-[(2R,3R)-3-[4-(4-シアノフェニル)-1,3-チアゾール-2-イル]-2-(2,5-ジフルオロフェニル)-2-ヒドロキシブチル]-1H-1,2,4-トリアゾール-4-イウム
  • 4-[({[2-(acetyloxy)ethyl](methyl)carbamoyl}oxy)methyl]-1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazol-4-ium
Other name (1)：
  • 1-[(2R,3R)-2-Hydroxy-2-(2,5-difluorophenyl)-3-[4-(4-cyanophenyl)-2-thiazolyl]butyl]-4-[N-methyl-N-(2-acetoxyethyl)carbamoyloxymethyl]-1H-1,2,4-triazole-4-ium
Thsaurus map：
Thesaurus Map

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