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CHEBI:180620 - 1-(3-Isocyanatophenyl)-5-(methylsulfanyl)-1H-tetrazole

ChEBI IDCHEBI:180620
ChEBI Name1-(3-Isocyanatophenyl)-5-(methylsulfanyl)-1H-tetrazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H7N5OS
Net Charge0
Average Mass233.256
Monoisotopic Mass233.03713
SMILESCSc1nnnn1-c1cccc(N=C=O)c1
InChIInChI=1S/C9H7N5OS/c1-16-9-11-12-13-14(9)8-4-2-3-7(5-8)10-6-15/h2-5H,1H3
InChIKeyDCSLJMJNINBKHO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
1-(3-Isocyanatophenyl)-5-(methylsulfanyl)-1H-tetrazole (CHEBI:180620) is a tetrazoles (CHEBI:35689)
IUPAC Name 
1-(3-isocyanatophenyl)-5-methylsulanyltetrazole
Manual XrefsDatabases
14743655ChemSpider