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

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: [3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C18H17FN4O2S MolecularWeight: 372.416583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1N)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C18H17FN4O2S/c1-11-21-22-18(23(11)20)26-10-14-8-15(19)7-13-9-24-17(25-16(13)14)12-5-3-2-4-6-12/h2-8,17H,9-10,20H2,1H3/t17-/m0/s1