(3E)-3-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-8-heptyl-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
25
H
27
ClFN
5
OS
InChI:
InChI=1/C25H27ClFN5OS/c1-4-5-6-7-8-9-22-30-32-23(28)19(24(33)29-25(32)34-22)13-17-12-15(2)31(16(17)3)18-10-11-21(27)20(26)14-18/h10-14,28H,4-9H2,1-3H3/b19-13+,28-23-
InChIKey:
InChIKey=NVRFWTKFOYKLDI-CFAMMUMGBD
SMILES:
CCCCCCCC1=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]-8-heptyl-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 6271695
PubChem ID 11583917