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

Systemtic Name: 3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-1,2,4-triazole Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H22FN3O2S/c1-17-27-28-25(29(17)14-18-8-4-2-5-9-18)32-16-21-13-22(26)12-20-15-30-24(31-23(20)21)19-10-6-3-7-11-19/h2-13,24H,14-16H2,1H3