Methyl 4-(((3-(pyridin-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoate

Catalog No. :
ACCPAL604
CAS No. :
733031-48-6
Molecular Formula :
C16H13N5O2S
Molecular Weight :
339.38

IUPAC Name:methyl (E)-4-(((3-(pyridin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino)methyl)benzoate

Methyl 4-(((3-(pyridin-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoate structure diagram
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Product Information

Product NameMethyl 4-(((3-(pyridin-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoate
IUPAC Namemethyl (E)-4-(((3-(pyridin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino)methyl)benzoate
MDL No.MFCD04635960
Molecular FormulaC16H13N5O2S
Molecular Weight339.38
SMILESO=C(OC)C1=CC=C(/C=N/N2C(C3=NC=CC=C3)=NNC2=S)C=C1
InChI KeyQRKASXSSTQDTOA-VCHYOVAHSA-N
SynonymSALOR-INT L407275-1EA;ME 4-(((3-MERCAPTO-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOATE;Benzoic acid, 4-[[[1,5-dihydro-3-(2-pyridinyl)-5-thioxo-4H-1,2,4-triazol-4-yl]imino]methyl]-, methyl ester
CAS No.733031-48-6

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P280-P301+P312-P302+P352-P305+P351+P338

Synthetic Route by SureRoute

1. ACCPAL604 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACKMUJ259 route compound structure diagram
    ACKMUJ2591571-08-0 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACCPAL604 route product structure diagram
    ACCPAL604733031-48-6
Inquiry

2. ACCPAL604 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACQVKH312 route compound structure diagram
    ACQVKH3121184-54-9 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACCPAL604 route product structure diagram
    ACCPAL604733031-48-6
Inquiry

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