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

Systemtic Name: 3-cyclopropyl-5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-cyclopropyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-cyclopropyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-cyclopropyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-cyclopropyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,2,4-triazol-4-yl]amine Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=C4C(=CC(=C3)F)CO[C@@H](O4)C5=CC=CC=C5

InChI

InChI=1S/C20H19FN4O2S/c21-16-8-14-10-26-19(13-4-2-1-3-5-13)27-17(14)15(9-16)11-28-20-24-23-18(25(20)22)12-6-7-12/h1-5,8-9,12,19H,6-7,10-11,22H2/t19-/m0/s1