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

Systemtic Name: 5-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(2-fluoro-6-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(2-fluoro-6-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(2-fluoro-6-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(2-fluoro-6-nitro-benzyl)thio]-1H-1,2,4-triazole Formula: C9H7FN4O2S MolecularWeight: 254.240883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CSC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)F)CSC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H7FN4O2S/c10-7-2-1-3-8(14(15)16)6(7)4-17-9-11-5-12-13-9/h1-3,5H,4H2,(H,11,12,13)