4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid

Catalog No. :
ACMUWL832
CAS No. :
1706450-59-0
Molecular Formula :
C10H7F2N5O4S
Molecular Weight :
331.26

IUPAC Name:4-((4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid

4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid structure diagram
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Product Information

Product Name4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid
IUPAC Name4-((4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid
Molecular FormulaC10H7F2N5O4S
Molecular Weight331.26
SMILESO=C(O)C1=CC=C(SC2=NN=C(C(F)F)N2N)C([N+]([O-])=O)=C1
InChI KeyNMRDIMUBUCXESD-UHFFFAOYSA-N
Synonym4-(4-Amino-5-difluoromethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-nitro-benzoic acid;Benzoic acid, 4-[[4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-3-nitro-
CAS No.1706450-59-0

Synthetic Route by SureRoute

1. ACMUWL832 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACMUWL832 route product structure diagram
    ACMUWL8321706450-59-0
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2. ACMUWL832 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACOEWU095 route compound structure diagram
    ACOEWU09596-99-1 In Stock
  4. Then
  5. ACMUWL832 route product structure diagram
    ACMUWL8321706450-59-0
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