2-[4-(3-bromo-2,8-dimethyl-4,6-dithiabicyclo[3.3.0]octa-2,7,9-trien-7-yl)pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide hydrate
Molecular Formula:
C21H17BrF3N3O2S3
InChI: InChI=1/C21H15BrF3N3OS3.H2O/c1-10-16-11(2)18(22)32-19(16)31-17(10)14-6-7-26-20(28-14)30-9-15(29)27-13-5-3-4-12(8-13)21(23,24)25;/h3-8H,9H2,1-2H3,(H,27,29);1H2/f/h27H;
InChIKey: InChIKey=LLAUYRNUHFSIRH-VJQWGOFSCU
SMILES: CC1=C(SC2=C1C(=C(S2)Br)C)C3=NC(=NC=C3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F.O
Names:
2-[4-(3-bromo-2,8-dimethyl-4,6-dithiabicyclo[3.3.0]octa-2,7,9-trien-7-yl)pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide hydrate
Registries:
PubChem CID 2820621
PubChem ID 3280725
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