Chem
J-GLOBAL ID:200907026556787319   Nikkaji number:J1.624.250K

7,8-Tetramethylene-4-thioxo-4,5-dihydro-1,3a,5-triaza-6-oxa-as-indacene-2(3H)-one

7,8-テトラメチレン-4-チオキソ-4,5-ジヒドロ-1,3a,5-トリアザ-6-オキサ-as-インダセン-2(3H)-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: C12H11N3O2S
Molecular formula furigana: C12-H11-N3-O2-S
Molecular weight: 261.300
InChI: InChI=1S/C12H11N3O2S/c16-8-5-15-10(13-8)9-6-3-1-2-4-7(6)17-11(9)14-12(15)18/h1-5H2,(H,14,18)
InChI key: AEWRJSKQBTWBJW-UHFFFAOYSA-N
SMILES: O=C1Cn2c(=N1)c1c([nH]c2=S)oc2CCCCc12
Systematic name  (3):
  • 7,8-テトラメチレン-4-チオキソ-4,5-ジヒドロ-1,3a,5-トリアザ-6-オキサ-as-インダセン-2(3H)-オン
  • 7-スルファニリデン-10-オキサ-3,6,8-トリアザテトラシクロ[7.7.0.02,6.011,16]ヘキサデカ-1(9),2,11(16)-トリエン-4-オン
  • 7-sulfanylidene-10-oxa-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,11(16)-trien-4-one
Other name (1):
  • 7,8-Tetramethylene-4-thioxo-4,5-dihydro-1,3a,5-triaza-6-oxa-as-indacene-2(3H)-one
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