Chem
J-GLOBAL ID：200907021323560037   Nikkaji number：J2.044.238G

5-[3-(Trifluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazole-1-yl]-2,3-dihydrobenzo[b]thiophene 1,1-dioxide

5-[3-(トリフルオロメチル)-5-(4-メトキシフェニル)-1H-ピラゾール-1-イル]-2,3-ジヒドロベンゾ[b]チオフェン1,1-ジオキシド
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： C19H15F3N2O[O-]2[S+2]
Molecular formula furigana： C19-H15-F3-N2-O3-S
Molecular weight： 408.400
InChI： InChI=1S/C19H15F3N2O3S/c1-27-15-5-2-12(3-6-15)16-11-18(19(20,21)22)23-24(16)14-4-7-17-13(10-14)8-9-28(17,25)26/h2-7,10-11H,8-9H2,1H3
InChI key： PGYLWDQHJOXVCV-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)c1cc(nn1c1ccc2c(CC[S+2]2([O-])[O-])c1)C(F)(F)F
Systematic name  (3)：
  • 5-[3-(トリフルオロメチル)-5-(4-メトキシフェニル)-1H-ピラゾール-1-イル]-2,3-ジヒドロベンゾ[b]チオフェン1,1-ジオキシド
  • 5-[5-(4-メトキシフェニル)-3-(トリフルオロメチル)-1H-ピラゾール-1-イル]-2,3-ジヒドロ-1H-1-ベンゾチオフェン-1,1-ジイウム-1,1-ビス(オラート)
  • 5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-2,3-dihydro-1H-1-benzothiophene-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 5-[3-(Trifluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazole-1-yl]-2,3-dihydrobenzo[b]thiophene 1,1-dioxide
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