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

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ChEBI Name 1-(1-azepanyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone ChEBI ID CHEBI:105816 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H18N4O3S Net Charge 0 Average Mass 298.363 Monoisotopic Mass 298.10996 InChI InChI=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) InChIKey SMOCXLQUTOULJW-UHFFFAOYSA-N SMILES CC1=C(C(=NN1)SCC(=O)N2CCCCCC2)[N+](=O)[O-] ChEBI Ontology Outgoing 1-(1-azepanyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone (CHEBI:105816) is a aryl sulfide (CHEBI:35683) Manual Xref Database LSM-17177 LINCS View more database links