Chem
J-GLOBAL ID：200907036754750086   Nikkaji number：J2.630.450D

4,4′-(2,1,3-Benzothiadiazole-4,7-diyl)bis[N-(2-nitrobenzyl)benzeneamine]

4,4′-(2,1,3-ベンゾチアジアゾール-4,7-ジイル)ビス[N-(2-ニトロベンジル)ベンゼンアミン]
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： C32H24N4[N+]2O2[O-]2S
Molecular formula furigana： C32-H24-N6-O4-S
Molecular weight： 588.640
InChI： InChI=1S/C32H24N6O4S/c39-37(40)29-7-3-1-5-23(29)19-33-25-13-9-21(10-14-25)27-17-18-28(32-31(27)35-43-36-32)22-11-15-26(16-12-22)34-20-24-6-2-4-8-30(24)38(41)42/h1-18,33-34H,19-20H2
InChI key： QQHXBGJHENMJNC-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccccc1CNc1ccc(cc1)c1ccc(c2ccc(NCc3ccccc3[N+](=O)[O-])cc2)c2nsnc12
Systematic name  (3)：
  • 4,4′-(2,1,3-ベンゾチアジアゾール-4,7-ジイル)ビス[N-(2-ニトロベンジル)ベンゼンアミン]
  • N-[(2-ニトロフェニル)メチル]-4-[7-(4-{[(2-ニトロフェニル)メチル]アミノ}フェニル)-2,1,3-ベンゾチアジアゾール-4-イル]アニリン
  • N-[(2-nitrophenyl)methyl]-4-[7-(4-{[(2-nitrophenyl)methyl]amino}phenyl)-2,1,3-benzothiadiazol-4-yl]aniline
Other name (1)：
  • 4,4′-(2,1,3-Benzothiadiazole-4,7-diyl)bis[N-(2-nitrobenzyl)benzeneamine]
Thsaurus map：
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