1-[(4-Ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one

Catalog No. :
ACDXBU257
CAS No. :
790270-75-6
Molecular Formula :
C11H18N4OS
Molecular Weight :
254.36

IUPAC Name:1-((4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)azepan-2-one

1-[(4-Ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one structure diagram
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Product Information

Product Name1-[(4-Ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one
IUPAC Name1-((4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)azepan-2-one
MDL No.MFCD06357820
Molecular FormulaC11H18N4OS
Molecular Weight254.36
SMILESO=C1N(CC2=NN=C(S)N2CC)CCCCC1
InChI KeyYQEYBUZYQZMNPH-UHFFFAOYSA-N
Synonym2H-Azepin-2-one, 1-[(4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]hexahydro-;1-[(4-Ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one
CAS No.790270-75-6

Synthetic Route by SureRoute

1. ACDXBU257 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDXBU257 route product structure diagram
    ACDXBU257790270-75-6
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2. ACDXBU257 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACDXBU257 route product structure diagram
    ACDXBU257790270-75-6
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