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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H20FN3O2S/c1-16-7-9-21(10-8-16)28-23(17-5-3-2-4-6-17)26-27-24(28)31-14-19-12-20(25)11-18-13-29-15-30-22(18)19/h2-12H,13-15H2,1H3