2-(2-fluoranyl-4-pyrazol-1-yl-phenyl)-1,3-bis(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 2-(2-fluoranyl-4-pyrazol-1-yl-phenyl)-1,3-bis(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 2-(2-fluoro-4-pyrazol-1-yl-phenyl)-1,3-bis(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 2-[2-fluoro-4-(1-pyrazolyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 2-(2-fluoro-4-pyrazol-1-ylphenyl)-1,3-bis(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 2-(2-fluoro-4-pyrazol-1-yl-phenyl)-1,3-bis(1,2,4-triazol-1-yl)butan-2-ol Formula: C17H17FN8O MolecularWeight: 368.368283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)N3C=CC=N3)F)O)N4C=NC=N4

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)N3C=CC=N3)F)O)N4C=NC=N4

InChI

InChI=1S/C17H17FN8O/c1-13(26-12-20-10-23-26)17(27,8-24-11-19-9-22-24)15-4-3-14(7-16(15)18)25-6-2-5-21-25/h2-7,9-13,27H,8H2,1H3