3-[(2-chloro-6-fluoro-phenyl)methylidene]-7-(4-tert-butylphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C21H17ClFN3OS
InChI: InChI=1/C21H17ClFN3OS/c1-21(2,3)13-9-7-12(8-10-13)18-24-20-26(25-18)19(27)17(28-20)11-14-15(22)5-4-6-16(14)23/h4-11H,1-3H3
InChIKey: InChIKey=ULCLRKMPNJFBFE-UHFFFAOYAQ
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=C(C=CC=C4Cl)F)SC3=N2 Names:
3-[(2-chloro-6-fluoro-phenyl)methylidene]-7-(4-tert-butylphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Registries:
ChemSpider: InChIKey=ULCLRKMPNJFBFE-UHFFFAOYAQ
PubChem CID 4489880
PubChem ID 6612340
InChI: InChI=1/C21H17ClFN3OS/c1-21(2,3)13-9-7-12(8-10-13)18-24-20-26(25-18)19(27)17(28-20)11-14-15(22)5-4-6-16(14)23/h4-11H,1-3H3
InChIKey: InChIKey=ULCLRKMPNJFBFE-UHFFFAOYAQ
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=C(C=CC=C4Cl)F)SC3=N2 Names:
3-[(2-chloro-6-fluoro-phenyl)methylidene]-7-(4-tert-butylphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Registries:
ChemSpider: InChIKey=ULCLRKMPNJFBFE-UHFFFAOYAQ
PubChem CID 4489880
PubChem ID 6612340
