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

Systemtic Name: 3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Openeye Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole CAS Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Traditional Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole Formula: C23H20FN3O2S2 MolecularWeight: 453.552203

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NN=CN4CCC5=CC=CS5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NN=CN4CCC5=CC=CS5)F

InChI

InChI=1S/C23H20FN3O2S2/c24-19-11-17-13-28-22(16-5-2-1-3-6-16)29-21(17)18(12-19)14-31-23-26-25-15-27(23)9-8-20-7-4-10-30-20/h1-7,10-12,15,22H,8-9,13-14H2