Account 4-(((3-(4-Fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoic acid
- Catalog No. :
- ACCRLO610
- CAS No. :
- 577997-10-5
- Molecular Formula :
- C16H11FN4O2S
- Molecular Weight :
- 342.36
IUPAC Name:(E)-4-(((3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid
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Product Information
| Product Name | 4-(((3-(4-Fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoic acid |
|---|---|
| IUPAC Name | (E)-4-(((3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid |
| MDL No. | MFCD04022576 |
| Molecular Formula | C16H11FN4O2S |
| Molecular Weight | 342.36 |
| SMILES | O=C(O)C1=CC=C(/C=N/N2C(C3=CC=C(F)C=C3)=NNC2=S)C=C1 |
| InChI Key | RFEPNBQYUDXYIE-GIJQJNRQSA-N |
| Synonym | SALOR-INT L409057-1EA;4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID;Benzoic acid, 4-[[[3-(4-fluorophenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl]imino]methyl]- |
| CAS No. | 577997-10-5 |
Safety Data
- Pictogram
- 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
2. ACCRLO610 Molecular Building Block Synthetic Route
Methyl 4-(((3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoate
4-(((5-Thioxo-3-(m-tolyl)-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoic acid
4-(((3-(2-Fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoic acid