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

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-isopropyl-1,2,4-triazole CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4-isopropyl-1,2,4-triazole Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C20H20FN3O2S/c1-13(2)24-12-22-23-20(24)27-11-16-9-17(21)8-15-10-25-19(26-18(15)16)14-6-4-3-5-7-14/h3-9,12-13,19H,10-11H2,1-2H3/t19-/m0/s1