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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-methyl-1,2,4-triazole Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C22H24FN3O2S/c1-22(2,3)17-7-5-14(6-8-17)20-24-25-21(26(20)4)29-12-16-10-18(23)9-15-11-27-13-28-19(15)16/h5-10H,11-13H2,1-4H3