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

Systemtic Name: 3-azido-2-(2-chloranyl-4-fluoranyl-phenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol Openeye Name: 3-azido-2-(2-chloro-4-fluoro-phenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol CAS Name: 3-azido-2-(2-chloro-4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-2-pentanol IUPAC Name: 3-azido-2-(2-chloro-4-fluorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol Traditional Name: 3-azido-2-(2-chloro-4-fluoro-phenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol Formula: C13H14ClFN6O MolecularWeight: 324.741263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClFN6O/c1-2-12(19-20-16)13(22,6-21-8-17-7-18-21)10-4-3-9(15)5-11(10)14/h3-5,7-8,12,22H,2,6H2,1H3