2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone trihydrate dihydrobromide

Molecular Formula: C44H42Br2N10O11S2


InChI: InChI=1/2C22H17N5O4S.2BrH.3H2O/c2*1-31-19-8-6-17(7-9-19)26-21(16-10-12-23-13-11-16)24-25-22(26)32-14-20(28)15-2-4-18(5-3-15)27(29)30;;;;;/h2*2-13H,14H2,1H3;2*1H;3*1H2

InChIKey: InChIKey=GDDVPRHCNMDKJO-UHFFFAOYAO
SMILES: COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4.COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4.O.O.O.Br.Br

Names:
    2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone trihydrate dihydrobromide

Registries:
    PubChem CID 2824012
    PubChem ID 3284534