(3E)-3-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-8-pentyl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
23
H
23
ClFN
5
OS
InChI:
InChI=1/C23H23ClFN5OS/c1-4-5-6-7-20-28-30-21(26)17(22(31)27-23(30)32-20)11-15-10-13(2)29(14(15)3)16-8-9-19(25)18(24)12-16/h8-12,26H,4-7H2,1-3H3/b17-11+,26-21-
InChIKey:
InChIKey=JIIPPYFJGHKKMT-QMRPYHRLBU
SMILES:
CCCCCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)F)Cl)C)C(=O)N=C2S1
Names:
(3E)-3-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-8-pentyl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 6291649
PubChem ID 11590634