5-(2-fluorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-fluorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-fluorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-fluorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-fluorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-fluorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazole Formula: C17H13FN4O4S MolecularWeight: 388.372923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C17H13FN4O4S/c18-14-4-2-1-3-13(14)16-19-17(21-20-16)27-8-11-6-12(22(23)24)5-10-7-25-9-26-15(10)11/h1-6H,7-9H2,(H,19,20,21)