2-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-butan-2-yl]-4-[4-[2,2,3,3-tetrakis(fluoranyl)propoxy]phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-butan-2-yl]-4-[4-[2,2,3,3-tetrakis(fluoranyl)propoxy]phenyl]-1,2,4-triazol-3-one Openeye Name: 2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one CAS Name: 2-[3-(2,4-difluorophenyl)-3-hydroxybutan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[3-(2,4-difluorophenyl)-3-hydroxybutan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one Formula: C21H19F6N3O3 MolecularWeight: 475.384279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C1=C(C=C(C=C1)F)F)O)N2C(=O)N(C=N2)C3=CC=C(C=C3)OCC(C(F)F)(F)F

Isomeric SMILES

CC(C(C)(C1=C(C=C(C=C1)F)F)O)N2C(=O)N(C=N2)C3=CC=C(C=C3)OCC(C(F)F)(F)F

InChI

InChI=1S/C21H19F6N3O3/c1-12(20(2,32)16-8-3-13(22)9-17(16)23)30-19(31)29(11-28-30)14-4-6-15(7-5-14)33-10-21(26,27)18(24)25/h3-9,11-12,18,32H,10H2,1-2H3