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CHEBI:167753 - Allyl 2-(1H-benzimidazoL-2-yl)-2-cyano-n-phenylethanimidothioate

ChEBI IDCHEBI:167753
ChEBI NameAllyl 2-(1H-benzimidazoL-2-yl)-2-cyano-n-phenylethanimidothioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16N4S
Net Charge0
Average Mass332.432
Monoisotopic Mass332.10957
SMILESC=CCS/C(=N\c1ccccc1)[C@H](C#N)c1nc2ccccc2n1
InChIInChI=1S/C19H16N4S/c1-2-12-24-19(21-14-8-4-3-5-9-14)15(13-20)18-22-16-10-6-7-11-17(16)23-18/h2-11,15H,1,12H2,(H,22,23)/b21-19-/t15-/m1/s1
InChIKeyHZILCQONIALCAS-DSGGYQJVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Allyl 2-(1H-benzimidazoL-2-yl)-2-cyano-n-phenylethanimidothioate (CHEBI:167753) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
prop-2-enyl 2-(1H-benzimidazol-2-yl)-2-cyano-N-phenylethanimidothioate
Manual XrefsDatabases
26462131ChemSpider