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CHEBI:117171 - N-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide

ChEBI IDCHEBI:117171
ChEBI NameN-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide
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FormulaC13H14BrN5O3S
Net Charge0
Average Mass400.258
Monoisotopic Mass399.00007
SMILESCC(C)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C13H14BrN5O3S/c1-7(2)12-16-13(18-17-12)23-6-11(20)15-10-4-3-8(19(21)22)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyXFTQRQAYSLSXPM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide (CHEBI:117171) is a C-nitro compound (CHEBI:35716)
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