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

Systemtic Name: 3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-4-(2-furfuryl)-1,2,4-triazole Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NN=CN4CC5=CC=CO5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NN=CN4CC5=CC=CO5)F

InChI

InChI=1S/C22H18FN3O3S/c23-18-9-16-12-28-21(15-5-2-1-3-6-15)29-20(16)17(10-18)13-30-22-25-24-14-26(22)11-19-7-4-8-27-19/h1-10,14,21H,11-13H2