sodium 2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol chloride

Systemtic Name: sodium 2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol chloride Openeye Name: sodium 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol chloride CAS Name: sodium 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-2-propanol chloride IUPAC Name: sodium 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol chloride Traditional Name: sodium 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol chloride Formula: C13H12ClF2N6NaO MolecularWeight: 364.713556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O.[Na+].[Cl-]

Isomeric SMILES

C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O.[Na+].[Cl-]

InChI

InChI=1S/C13H12F2N6O.ClH.Na/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21;;/h1-3,6-9,22H,4-5H2;1H;/q;;+1/p-1