6-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[(2-fluoro-6-nitro-phenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(2-fluoro-6-nitrophenyl)methylthio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[(2-fluoro-6-nitrophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(2-fluoro-6-nitro-benzyl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C10H7FN4O4S MolecularWeight: 298.250383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CSC2=NNC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)F)CSC2=NNC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C10H7FN4O4S/c11-6-2-1-3-7(15(18)19)5(6)4-20-9-8(16)12-10(17)14-13-9/h1-3H,4H2,(H2,12,14,16,17)