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

Systemtic Name: N-ethyl-5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-ethyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-ethyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-ethyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: ethyl-[5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C19H18FN3O2S2 MolecularWeight: 403.493523

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C19H18FN3O2S2/c1-2-21-18-22-23-19(27-18)26-11-14-9-15(20)8-13-10-24-17(25-16(13)14)12-6-4-3-5-7-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)/t17-/m0/s1