8-methyl-3-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-10-propyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione

Molecular Formula: C21H25N5O4S


InChI: InChI=1/C21H25N5O4S/c1-5-9-25-18-17(20(27)24(4)21(25)28)19(23-16(22-18)10-13(2)3)31-12-14-7-6-8-15(11-14)26(29)30/h6-8,11,13H,5,9-10,12H2,1-4H3

InChIKey: InChIKey=TVTQVNYWSQIXRU-UHFFFAOYAY
SMILES: CCCN1C2=C(C(=NC(=N2)CC(C)C)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C1=O)C

Names:
    8-methyl-3-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-10-propyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione

Registries:
    PubChem CID 4832133
    PubChem ID 9795019