(3Z)-3-[[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-(4-hexoxyphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C
36
H
36
FN
5
O
3
S
InChI:
InChI=1/C36H36FN5O3S/c1-3-5-7-11-21-44-29-17-14-25(15-18-29)34-38-36-42(40-34)35(43)32(46-36)23-27-24-41(28-12-9-8-10-13-28)39-33(27)26-16-19-31(30(37)22-26)45-20-6-4-2/h8-10,12-19,22-24H,3-7,11,20-21H2,1-2H3/b32-23-
InChIKey:
InChIKey=VFQNXSCOGPDHQS-SJIPCVTEBV
SMILES:
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCCCC)F)C6=CC=CC=C6)SC3=N2
Names:
(3Z)-3-[[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-(4-hexoxyphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 6318606
PubChem ID 11598647
