2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone hydrate hydrobromide
Molecular Formula:
C28H25BrN4O3S
InChI: InChI=1/C28H22N4O2S.BrH.H2O/c1-34-25-13-11-24(12-14-25)32-27(23-15-17-29-18-16-23)30-31-28(32)35-19-26(33)22-9-7-21(8-10-22)20-5-3-2-4-6-20;;/h2-18H,19H2,1H3;1H;1H2
InChIKey: InChIKey=LHXWPVKEQQIVIP-UHFFFAOYAO
SMILES: COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=NC=C5.O.Br Names:
2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone hydrate hydrobromide Registries:
ChemSpider: InChIKey=LHXWPVKEQQIVIP-UHFFFAOYAO
PubChem CID 2824016
PubChem ID 3284537
InChI: InChI=1/C28H22N4O2S.BrH.H2O/c1-34-25-13-11-24(12-14-25)32-27(23-15-17-29-18-16-23)30-31-28(32)35-19-26(33)22-9-7-21(8-10-22)20-5-3-2-4-6-20;;/h2-18H,19H2,1H3;1H;1H2
InChIKey: InChIKey=LHXWPVKEQQIVIP-UHFFFAOYAO
SMILES: COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=NC=C5.O.Br Names:
2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone hydrate hydrobromide Registries:
ChemSpider: InChIKey=LHXWPVKEQQIVIP-UHFFFAOYAO
PubChem CID 2824016
PubChem ID 3284537
