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

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)NN=C1SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C18H16FN3O3S/c1-22-17(23)20-21-18(22)26-10-13-8-14(19)7-12-9-24-16(25-15(12)13)11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3,(H,20,23)/t16-/m0/s1