3-(3-nitrophenyl)-9-[(4-tert-butylphenoxy)methyl]-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-3,6,8-triene

Molecular Formula: C21H21N5O3S


InChI: InChI=1/C21H21N5O3S/c1-21(2,3)15-7-9-17(10-8-15)29-12-19-22-23-20-25(19)24-18(13-30-20)14-5-4-6-16(11-14)26(27)28/h4-11,13,24H,12H2,1-3H3

InChIKey: InChIKey=JGCIFWREZMLADH-UHFFFAOYAG
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C3N2NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Names:
    3-(3-nitrophenyl)-9-[(4-tert-butylphenoxy)methyl]-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-3,6,8-triene

Registries:
    PubChem CID 4112096
    PubChem ID 6038226