1-(azepan-1-yl)-2-[[2-(4-tert-butylphenyl)-6-thia-1,3,4,8-tetrazabicyclo[3.3.0]octa-2,4,7-trien-7-yl]sulfanyl]ethanone

Molecular Formula: C21H27N5OS2


InChI: InChI=1/C21H27N5OS2/c1-21(2,3)16-10-8-15(9-11-16)18-22-23-19-26(18)24-20(29-19)28-14-17(27)25-12-6-4-5-7-13-25/h8-11H,4-7,12-14H2,1-3H3

InChIKey: InChIKey=BHVQDCRYGXPKGL-UHFFFAOYAN
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)SCC(=O)N4CCCCCC4

Names:
    1-(azepan-1-yl)-2-[[2-(4-tert-butylphenyl)-6-thia-1,3,4,8-tetrazabicyclo[3.3.0]octa-2,4,7-trien-7-yl]sulfanyl]ethanone

Registries:
    PubChem CID 4827671
    PubChem ID 9792561