3-azido-2-(4-chloranyl-2-fluoranyl-phenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 3-azido-2-(4-chloranyl-2-fluoranyl-phenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 3-azido-2-(4-chloro-2-fluoro-phenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 3-azido-2-(4-chloro-2-fluorophenyl)-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 3-azido-2-(4-chloro-2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 3-azido-2-(4-chloro-2-fluoro-phenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C12H12ClFN6O MolecularWeight: 310.714683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)F)O)N=[N+]=[N-]

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)F)O)N=[N+]=[N-]

InChI

InChI=1S/C12H12ClFN6O/c1-8(18-19-15)12(21,5-20-7-16-6-17-20)10-3-2-9(13)4-11(10)14/h2-4,6-8,21H,5H2,1H3