3-(4-ethylphenyl)-5-[(3-nitro-7,9-dioxabicyclo[4.4.0]deca-2,4,11-trien-5-yl)methylsulfanyl]-2H-1,2,4-triazole

Molecular Formula: C19H18N4O4S


InChI: InChI=1/C19H18N4O4S/c1-2-12-3-5-13(6-4-12)18-20-19(22-21-18)28-10-15-8-16(23(24)25)7-14-9-26-11-27-17(14)15/h3-8H,2,9-11H2,1H3,(H,20,21,22)/f/h21H

InChIKey: InChIKey=PKGVXKHMGXLPSY-PKSOQXRJCE
SMILES: CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Names:
    3-(4-ethylphenyl)-5-[(3-nitro-7,9-dioxabicyclo[4.4.0]deca-2,4,11-trien-5-yl)methylsulfanyl]-2H-1,2,4-triazole

Registries:
    PubChem CID 4457499
    PubChem ID 6570868