3-(phenylmethylsulfanyl)-4-propan-2-yl-5-[[4-(trifluoromethyloxy)phenoxy]methyl]-1,2,4-triazole

Systemtic Name: 3-(phenylmethylsulfanyl)-4-propan-2-yl-5-[[4-(trifluoromethyloxy)phenoxy]methyl]-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-isopropyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,4-triazole CAS Name: 3-(phenylmethylthio)-4-propan-2-yl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-propan-2-yl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-isopropyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,4-triazole Formula: C20H20F3N3O2S MolecularWeight: 423.45191

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H20F3N3O2S/c1-14(2)26-18(24-25-19(26)29-13-15-6-4-3-5-7-15)12-27-16-8-10-17(11-9-16)28-20(21,22)23/h3-11,14H,12-13H2,1-2H3