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CHEBI:43741 - {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid

ChEBI IDCHEBI:43741
ChEBI Name{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
Stars
Last Modified3 February 2011
DownloadsMolfile
FormulaC8H5N3O6S
Net Charge0
Average Mass271.210
Monoisotopic Mass270.98991
SMILESO=C(O)CSc1nnc(-c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)
InChIKeyITBNJCVIFHSKRL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) has functional parent acetic acid (CHEBI:15366)
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) is a C-nitro compound (CHEBI:35716)
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) is a 1,3,4-oxadiazoles (CHEBI:46810)
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) is a furans (CHEBI:24129)
IUPAC Name 
{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
Synonym  Source
{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACIDPDBeChem
Manual XrefsDatabases
LITPDBeChem
DB08098DrugBank
Registry NumbersSources
Beilstein:4845930Beilstein