Chem
J-GLOBAL ID：200907045283264622   Nikkaji number：J1.636.176C

Thioacetic acid=S-[1-acetyl-5-tert-butyl-3-(3-methylphenyl)-1H-1,2,3a,4-tetraazapentalene-6-yl] ester

チオ酢酸=S-[1-アセチル-5-tert-ブチル-3-(3-メチルフェニル)-1H-1,2,3a,4-テトラアザペンタレン-6-イル]
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： C19H22N4O2S
Molecular formula furigana： C19-H22-N4-O2-S
Molecular weight： 370.470
InChI： InChI=1S/C19H22N4O2S/c1-11-8-7-9-14(10-11)17-21-22(12(2)24)18-15(26-13(3)25)16(19(4,5)6)20-23(17)18/h7-10H,1-6H3
InChI key： PIRVAOWOSJOFHI-UHFFFAOYSA-N
SMILES： CC(=O)Sc1c(nn2c(nn(C(=O)C)c12)c1cccc(C)c1)C(C)(C)C
Systematic name  (3)：
  • チオ酢酸=S-[1-アセチル-5-tert-ブチル-3-(3-メチルフェニル)-1H-1,2,3a,4-テトラアザペンタレン-6-イル]
  • 1-{[1-アセチル-6-tert-ブチル-3-(3-メチルフェニル)-1H-ピラゾロ[3,2-c][1,2,4]トリアゾール-7-イル]スルファニル}エタン-1-オン
  • 1-{[1-acetyl-6-tert-butyl-3-(3-methylphenyl)-1H-pyrazolo[3,2-c][1,2,4]triazol-7-yl]sulfanyl}ethan-1-one
Other name (1)：
  • Thioacetic acid=S-[1-acetyl-5-tert-butyl-3-(3-methylphenyl)-1H-1,2,3a,4-tetraazapentalene-6-yl] ester
Regulation number (1)：
  • 8-(3)-864
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