Chem
J-GLOBAL ID:200907050690017870   Nikkaji number:J2.418.252E

2-(2,4-Dichlorophenyl)-3-phenyl-5-(4-nitrophenylamino)-1,3,4-thiadiazole-3-ium

2-(2,4-ジクロロフェニル)-3-フェニル-5-(4-ニトロフェニルアミノ)-1,3,4-チアジアゾール-3-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: C20H13Cl2N2[N+]2O[O-]S
Molecular formula furigana: C20-H13-CL2-N4-O2-S
Molecular weight: 444.310
InChI: InChI=1S/C20H13Cl2N4O2S/c21-13-6-11-17(18(22)12-13)19-25(15-4-2-1-3-5-15)24-20(29-19)23-14-7-9-16(10-8-14)26(27)28/h1-12H,(H,23,24)/q+1
InChI key: KLCWYQIHEPLHLD-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(Nc2n[n+](c(s2)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
Systematic name  (3):
  • 2-(2,4-ジクロロフェニル)-3-フェニル-5-(4-ニトロフェニルアミノ)-1,3,4-チアジアゾール-3-イウム
  • 2-(2,4-ジクロロフェニル)-5-[(4-ニトロフェニル)アミノ]-3-フェニル-1,3λ5,4-チアジアゾール-3-イリウム
  • 2-(2,4-dichlorophenyl)-5-[(4-nitrophenyl)amino]-3-phenyl-1,3λ5,4-thiadiazol-3-ylium
Other name (1):
  • 2-(2,4-Dichlorophenyl)-3-phenyl-5-(4-nitrophenylamino)-1,3,4-thiadiazole-3-ium
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