Chem
J-GLOBAL ID:200907051372834661   Nikkaji number:J1.205.062C

5-[2-(4-Carbamoyl-5-mercapto-1H-1,2,3-triazole-1-yl)phenylamino]-1,2,3-thiadiazole-4-carboxylic acid ethyl ester

5-[2-(4-カルバモイル-5-メルカプト-1H-1,2,3-トリアゾール-1-イル)フェニルアミノ]-1,2,3-チアジアゾール-4-カルボン酸エチル
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: C14H13N7O3S2
Molecular formula furigana: C14-H13-N7-O3-S2
Molecular weight: 391.420
InChI: InChI=1S/C14H13N7O3S2/c1-2-24-14(23)10-12(26-20-18-10)16-7-5-3-4-6-8(7)21-13(25)9(11(15)22)17-19-21/h3-6,16,25H,2H2,1H3,(H2,15,22)
InChI key: SJJQYXGANBPIGP-UHFFFAOYSA-N
SMILES: CCOC(=O)c1nnsc1Nc1ccccc1n1nnc(C(=O)N)c1S
Systematic name  (3):
  • 5-[2-(4-カルバモイル-5-メルカプト-1H-1,2,3-トリアゾール-1-イル)フェニルアミノ]-1,2,3-チアジアゾール-4-カルボン酸エチル
  • エチル 5-{[2-(4-カルバモイル-5-スルファニル-1H-1,2,3-トリアゾール-1-イル)フェニル]アミノ}-1,2,3-チアジアゾール-4-カルボキシラート
  • ethyl 5-{[2-(4-carbamoyl-5-sulfanyl-1H-1,2,3-triazol-1-yl)phenyl]amino}-1,2,3-thiadiazole-4-carboxylate
Other name (1):
  • 5-[2-(4-Carbamoyl-5-mercapto-1H-1,2,3-triazole-1-yl)phenylamino]-1,2,3-thiadiazole-4-carboxylic acid ethyl ester
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