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

Systemtic Name: 3-cyclopropyl-4-ethyl-5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclopropyl-4-ethyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-4-ethyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,2,4-triazole IUPAC Name: 3-cyclopropyl-4-ethyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclopropyl-4-ethyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,2,4-triazole Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H22FN3O2S/c1-2-26-20(14-8-9-14)24-25-22(26)29-13-17-11-18(23)10-16-12-27-21(28-19(16)17)15-6-4-3-5-7-15/h3-7,10-11,14,21H,2,8-9,12-13H2,1H3/t21-/m0/s1