EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232351 - SMIFH2

Default Structure
ChEBI IDCHEBI:232351
ChEBI NameSMIFH2
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC15H9BrN2O3S
Net Charge0
Average Mass377.219
Monoisotopic Mass375.95173
SMILES[H]/C(=C1\C(=O)N(c2cccc(Br)c2)C(=S)N=C1O)c1ccco1
InChIInChI=1S/C15H9BrN2O3S/c16-9-3-1-4-10(7-9)18-14(20)12(13(19)17-15(18)22)8-11-5-2-6-21-11/h1-8H,(H,17,19,22)/b12-8+
InChIKeyMVFJHEQDISFYIS-XYOKQWHBSA-N
ChEBI Ontology
Outgoing Relation(s)
SMIFH2 (CHEBI:232351) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:340316-62-3SUBMITTER
Citations