Chem
J-GLOBAL ID：200907010246858794   Nikkaji number：J1.398.395J

2-[(4-Thiolatophenyl)ethynyl]-4-nitro-5-phenylethynylaniline

2-[(4-チオラトフェニル)エチニル]-4-ニトロ-5-フェニルエチニルアニリン
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： C22H13N[N+]O[O-][S-]
Molecular formula furigana： C22-H13-N2-O2-S
Molecular weight： 369.420
InChI： InChI=1S/C22H14N2O2S/c23-21-14-19(11-7-16-4-2-1-3-5-16)22(24(25)26)15-18(21)10-6-17-8-12-20(27)13-9-17/h1-5,8-9,12-15,27H,23H2/p-1
InChI key： RTDQWFCDAVRPDU-UHFFFAOYSA-M
SMILES： Nc1cc(C#Cc2ccccc2)c(cc1C#Cc1ccc([S-])cc1)[N+](=O)[O-]
Systematic name  (5)：
  • 2-[(4-チオラトフェニル)エチニル]-4-ニトロ-5-フェニルエチニルアニリン
  • 4-[2-アミノ-5-ニトロ-4-(フェニルエチニル)フェニルエチニル]ベンゼンチオラート
  • 4-[2-アミノ-4-(フェニルエチニル)-5-ニトロフェニルエチニル]ベンゼンチオラート
  • (4-{2-[2-アミノ-5-ニトロ-4-(2-フェニルエチニル)フェニル]エチニル}フェニル)スルファニド
  • (4-{2-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]ethynyl}phenyl)sulfanide
Other name (3)：
  • 2-[(4-Thiolatophenyl)ethynyl]-4-nitro-5-phenylethynylaniline
  • 4-[2-Amino-5-nitro-4-(phenylethynyl)phenylethynyl]benzenethiolate
  • 4-[2-Amino-4-(phenylethynyl)-5-nitrophenylethynyl]benzenethiolate
Thsaurus map：
Thesaurus Map

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