2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone trihydrate dihydrobromide
Molecular Formula:
C
44
H
42
Br
2
N
10
O
11
S
2
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
