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CHEBI:184360 - N-(4-Methoxybenzoyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanehydrazonic acid

ChEBI IDCHEBI:184360
ChEBI NameN-(4-Methoxybenzoyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanehydrazonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N6O3S
Net Charge0
Average Mass398.448
Monoisotopic Mass398.11611
SMILESCOc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2C)cc1
InChIInChI=1S/C18H18N6O3S/c1-24-16(13-4-3-9-19-10-13)21-23-18(24)28-11-15(25)20-22-17(26)12-5-7-14(27-2)8-6-12/h3-10H,11H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyVZAIFVKTKJTLKF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
N-(4-Methoxybenzoyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanehydrazonic acid (CHEBI:184360) is a triazoles (CHEBI:35727)
IUPAC Name 
4-methoxy-N'-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulanyl]acetyl]benzohydrazide
Manual XrefsDatabases
HMDB0032389HMDB
977083ChemSpider