Chem
J-GLOBAL ID：200907007458364359   Nikkaji number：J1.846.735F

1-[(2R,3R)-2-Hydroxy-2-(2,5-difluorophenyl)-3-[4-(4-cyanophenyl)-2-thiazolyl]butyl]-4-[N-methyl-N-(3-acetoxypropyl)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-(3-アセトキシプロピル)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： C30H31F2N5[N+]O5S
Molecular formula furigana： C30-H31-F2-N6-O5-S
Molecular weight： 625.670
InChI： InChI=1S/C30H31F2N6O5S/c1-20(28-35-27(15-44-28)23-7-5-22(14-33)6-8-23)30(41,25-13-24(31)9-10-26(25)32)16-38-18-37(17-34-38)19-43-29(40)36(3)11-4-12-42-21(2)39/h5-10,13,15,17-18,20,41H,4,11-12,16,19H2,1-3H3/q+1/t20-,30+/m0/s1
InChI key： GCOVRCJYOGZNFH-WENCNXQZSA-N
SMILES： C[C@@H](c1nc(cs1)c1ccc(cc1)C#N)[C@](O)(Cn1c[n+](COC(=O)N(C)CCCOC(=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-(3-アセトキシプロピル)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-[({[3-(アセチルオキシ)プロピル](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-[({[3-(acetyloxy)propyl](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-(3-acetoxypropyl)carbamoyloxymethyl]-1H-1,2,4-triazole-4-ium
Thsaurus map：
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