Catalog Number:
AG00ABSG
Chemical Name:
I-BRD9
CAS Number:
1714146-59-4
Molecular Formula:
C22H22F3N3O3S2
Molecular Weight:
497.5536
MDL Number:
MFCD28952791
IUPAC Name:
N'-(1,1-dioxothian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
InChI:
InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
InChI Key:
WRUWGLUCNBMGPS-UHFFFAOYSA-N
SMILES:
CCn1cc(c2cccc(c2)C(F)(F)F)c2c(c1=O)cc(s2)C(=N)NC1CCS(=O)(=O)CC1
