2-[(3-bromo-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)methylsulfanyl]benzoic acid

Molecular Formula: C₁₅H₁₁BrN₂O₂S

InChI: InChI=1/C15H11BrN2O2S/c16-10-5-6-14-17-11(8-18(14)7-10)9-21-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,19,20)/f/h19H

InChIKey: InChIKey=LTGNOCDYHJTJJB-LILDFLRNCI
SMILES: C1=CC=C(C(=C1)C(=O)O)SCC2=CN3C=C(C=CC3=N2)Br

Names:
    2-[(3-bromo-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)methylsulfanyl]benzoic acid

Registries:
    PubChem CID 4137672
    PubChem ID 6072648