3-[(2,5-dimethylphenyl)methylsulfanyl]-9-(4-fluorophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one
Molecular Formula:
C
20
H
17
FN
4
OS
InChI:
InChI=1/C20H17FN4OS/c1-12-3-4-13(2)14(9-12)11-27-20-23-18-17(19(26)24-20)10-22-25(18)16-7-5-15(21)6-8-16/h3-10,22H,11H2,1-2H3
InChIKey:
InChIKey=LGQFNLUEPQEEDB-UHFFFAOYAY
SMILES:
CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)F
Names:
3-[(2,5-dimethylphenyl)methylsulfanyl]-9-(4-fluorophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one
Registries:
PubChem CID 2153166
PubChem ID 6569510