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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=C4C(=CC(=C3)F)CO[C@@H](O4)C5=CC=CC=C5

InChI

InChI=1S/C21H20FN3O2S/c1-13-23-24-21(25(13)18-7-8-18)28-12-16-10-17(22)9-15-11-26-20(27-19(15)16)14-5-3-2-4-6-14/h2-6,9-10,18,20H,7-8,11-12H2,1H3/t20-/m0/s1