Chem
J-GLOBAL ID：200907087113250460
Nikkaji number：J1.456.248F
3-(4-Nitrophenyl)-1,2,4-thiadiazole-5(4H)-one
3-(4-ニトロフェニル)-1,2,4-チアジアゾール-5(4H)-オン
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
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
Molecular formula： C8H5N2[N+]O2[O-]S
Molecular formula furigana： C8-H5-N3-O3-S
Molecular weight： 223.210
InChI：
InChI=1S/C8H5N3O3S/c12-8-9-7(10-15-8)5-1-3-6(4-2-5)11(13)14/h1-4H,(H,9,10,12)
InChI key：
QTUFFXKUBWJPKV-UHFFFAOYSA-N
SMILES：
[O-][N+](=O)c1ccc(cc1)c1nsc(=O)[nH]1
Systematic name (3)：
- 3-(4-ニトロフェニル)-1,2,4-チアジアゾール-5(4H)-オン
- 3-(4-ニトロフェニル)-4,5-ジヒドロ-1,2,4-チアジアゾール-5-オン
- 3-(4-nitrophenyl)-4,5-dihydro-1,2,4-thiadiazol-5-one
- 3-(4-Nitrophenyl)-1,2,4-thiadiazole-5(4H)-one
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