CHEBI:108212 - 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone
ChEBI ID CHEBI:108212
Stars This entity has been manually annotated by a third party.
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Formula C14H16N4O3S
Net Charge 0
Average Mass 320.368
Monoisotopic Mass 320.09431
InChI InChI=1S/C14H16N4O3S/c1-9(2)18-14(15-16-17-18)22-8-11(19)10-3-4-12-13(7-10)21-6-5-20-12/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey RYINBEFZQUPVNQ-UHFFFAOYSA-N
SMILES CC(C)N1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)OCCO3
ChEBI Ontology
Outgoing 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone (CHEBI:108212) is a benzodioxine (CHEBI:64096)
Manual Xref Database
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