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

Systemtic Name: 5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,3,4-thiadiazol-2-yl]-propyl-amine Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C20H20FN3O2S2/c1-2-8-22-19-23-24-20(28-19)27-12-15-10-16(21)9-14-11-25-18(26-17(14)15)13-6-4-3-5-7-13/h3-7,9-10,18H,2,8,11-12H2,1H3,(H,22,23)/t18-/m0/s1