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