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

Systemtic Name: 3-(4-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C23H17FN4O4S MolecularWeight: 464.468883

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C23H17FN4O4S/c24-18-8-6-15(7-9-18)22-25-26-23(27(22)19-4-2-1-3-5-19)33-13-17-11-20(28(29)30)10-16-12-31-14-32-21(16)17/h1-11H,12-14H2