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

Systemtic Name: 5-[6-bromanyl-2-fluoranyl-3-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[6-bromo-2-fluoro-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile CAS Name: 5-[6-bromo-2-fluoro-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[6-bromo-2-fluoro-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[6-bromo-2-fluoro-3-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)methyl]phenoxy]isophthalonitrile Formula: C18H11BrFN5O2 MolecularWeight: 428.214643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)C#N)F

Isomeric SMILES

CN1C(=NNC1=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)C#N)F

InChI

InChI=1S/C18H11BrFN5O2/c1-25-15(23-24-18(25)26)7-12-2-3-14(19)17(16(12)20)27-13-5-10(8-21)4-11(6-13)9-22/h2-6H,7H2,1H3,(H,24,26)