Chem
J-GLOBAL ID：200907020411611486   Nikkaji number：J2.203.286K

nTZDpa

1-(4-クロロベンジル)-5-クロロ-3-(フェニルチオ)-1H-インドール-2-カルボン酸
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： C22H15Cl2NO2S
Molecular formula furigana： C22-H15-CL2-N-O2-S
Molecular weight： 428.330
InChI： InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
InChI key： VUPOTURDKDMIGQ-UHFFFAOYSA-N
SMILES： OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
Systematic name  (3)：
  • 1-(4-クロロベンジル)-5-クロロ-3-(フェニルチオ)-1H-インドール-2-カルボン酸
  • 5-クロロ-1-[(4-クロロフェニル)メチル]-3-(フェニルスルファニル)-1H-インドール-2-カルボン酸
  • 5-chloro-1-[(4-chlorophenyl)methyl]-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid
Other name (2)：
  • 1-(4-Chlorobenzyl)-5-chloro-3-(phenylthio)-1H-indole-2-carboxylic acid
  • nTZDpa
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