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

Systemtic Name: 4-azanyl-3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-6-methyl-1,2,4-triazin-5-one Formula: C19H17FN4O3S MolecularWeight: 400.426683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C19H17FN4O3S/c1-11-17(25)24(21)19(23-22-11)28-10-14-8-15(20)7-13-9-26-18(27-16(13)14)12-5-3-2-4-6-12/h2-8,18H,9-10,21H2,1H3/t18-/m0/s1