Chem
J-GLOBAL ID：200907020459606778   Nikkaji number：J2.156.335H

6-(1,3-Benzodioxole-5-ylmethyl)-3-mercapto-1,2,4-triazine-5(4H)-one

6-(1,3-ベンゾジオキソール-5-イルメチル)-3-メルカプト-1,2,4-トリアジン-5(4H)-オン
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： C11H9N3O3S
Molecular formula furigana： C11-H9-N3-O3-S
Molecular weight： 263.270
InChI： InChI=1S/C11H9N3O3S/c15-10-7(13-14-11(18)12-10)3-6-1-2-8-9(4-6)17-5-16-8/h1-2,4H,3,5H2,(H2,12,14,15,18)
InChI key： ATKLJSCKYYOCDK-UHFFFAOYSA-N
SMILES： Sc1nnc(Cc2ccc3OCOc3c2)c(=O)[nH]1
Systematic name  (3)：
  • 6-(1,3-ベンゾジオキソール-5-イルメチル)-3-メルカプト-1,2,4-トリアジン-5(4H)-オン
  • 6-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-スルファニル-4,5-ジヒドロ-1,2,4-トリアジン-5-オン
  • 6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-4,5-dihydro-1,2,4-triazin-5-one
Other name (1)：
  • 6-(1,3-Benzodioxole-5-ylmethyl)-3-mercapto-1,2,4-triazine-5(4H)-one
Thsaurus map：
Thesaurus Map

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