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

Systemtic Name: 3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COCCN1C(=NN=C1SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24FN3O3S/c1-31-13-12-30-24(18-8-4-2-5-9-18)28-29-26(30)34-17-21-15-22(27)14-20-16-32-25(33-23(20)21)19-10-6-3-7-11-19/h2-11,14-15,25H,12-13,16-17H2,1H3