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CHEBI:105816 - 1-(1-azepanyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone

ChEBI IDCHEBI:105816
ChEBI Name1-(1-azepanyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone
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FormulaC12H18N4O3S
Net Charge0
Average Mass298.368
Monoisotopic Mass298.10996
SMILESCc1nnc(SCC(=O)N2CCCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3S/c1-9-11(16(18)19)12(14-13-9)20-8-10(17)15-6-4-2-3-5-7-15/h2-8H2,1H3,(H,13,14)
InChIKeySMOCXLQUTOULJW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1-azepanyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone (CHEBI:105816) is a aryl sulfide (CHEBI:35683)
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LSM-17177LINCS