3-bromo-5-((5-oxo-4-propyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)thio)benzoic acid
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Basic information
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Exact Mass | 356.97827 |
Smiles | O=C(O)C1=CC(SC2N(CCC)C(=O)NN=2)=CC(Br)=C1 |
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Canonical Smiles | CCCN1C(=O)NN=C1SC1C=C(C=C(Br)C=1)C(O)=O |
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Inchi | InChI=1S/C12H12BrN3O3S/c1-2-3-16-11(19)14-15-12(16)20-9-5-7(10(17)18)4-8(13)6-9/h4-6H,2-3H2,1H3,(H,14,19)(H,17,18) |
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Useage | |
InchiKey | IVOVGMRZNPBBGN-UHFFFAOYSA-N |
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Security information
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