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

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5)F

InChI

InChI=1S/C24H20FN3O2S/c25-20-12-18-14-29-16-30-23(18)19(13-20)15-31-24-27-26-22(11-17-7-3-1-4-8-17)28(24)21-9-5-2-6-10-21/h1-10,12-13H,11,14-16H2