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

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-methyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-methyl-1,2,4-triazole Formula: C21H20FN3O2S MolecularWeight: 397.465803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H20FN3O2S/c1-3-9-25-14(2)23-24-21(25)28-13-17-11-18(22)10-16-12-26-20(27-19(16)17)15-7-5-4-6-8-15/h3-8,10-11,20H,1,9,12-13H2,2H3/t20-/m0/s1