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

Systemtic Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenethyl-1,2,4-triazole Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5F)[N+](=O)[O-]

InChI

InChI=1S/C25H21FN4O4S/c26-22-9-5-4-8-21(22)24-27-28-25(29(24)11-10-17-6-2-1-3-7-17)35-15-19-13-20(30(31)32)12-18-14-33-16-34-23(18)19/h1-9,12-13H,10-11,14-16H2