[3-[(8-cyclohexyl-2-imino-4-oxo-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene)methyl]phenyl] 4-fluorobenzoate
Molecular Formula:
C
25
H
21
FN
4
O
3
S
InChI:
InChI=1/C25H21FN4O3S/c26-18-11-9-17(10-12-18)24(32)33-19-8-4-5-15(13-19)14-20-21(27)30-25(28-22(20)31)34-23(29-30)16-6-2-1-3-7-16/h4-5,8-14,16,27H,1-3,6-7H2/b20-14u,27-21+
InChIKey:
InChIKey=JIVIHYXHNHCTRD-ISKIOIEPBB
SMILES:
C1CCC(CC1)C2=NN3C(=N)C(=CC4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)F)C(=O)N=C3S2
Names:
[3-[(8-cyclohexyl-2-imino-4-oxo-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene)methyl]phenyl] 4-fluorobenzoate
Registries:
PubChem CID 3564674
PubChem ID 4826105