5-[3-bromanyl-2-fluoranyl-6-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[3-bromanyl-2-fluoranyl-6-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[3-bromo-2-fluoro-6-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzene-1,3-dicarbonitrile CAS Name: 5-[3-bromo-2-fluoro-6-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[3-bromo-2-fluoro-6-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[3-bromo-2-fluoro-6-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]isophthalonitrile Formula: C18H11BrFN5O3 MolecularWeight: 444.214043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=O)COC2=C(C(=C(C=C2)Br)F)OC3=CC(=CC(=C3)C#N)C#N

Isomeric SMILES

CN1C(=NNC1=O)COC2=C(C(=C(C=C2)Br)F)OC3=CC(=CC(=C3)C#N)C#N

InChI

InChI=1S/C18H11BrFN5O3/c1-25-15(23-24-18(25)26)9-27-14-3-2-13(19)16(20)17(14)28-12-5-10(7-21)4-11(6-12)8-22/h2-6H,9H2,1H3,(H,24,26)