1-[2-[4-[2-(4-methoxyphenyl)-5-[2,2,2-tris(fluoranyl)ethoxy]-1,2,4-triazol-3-yl]phenoxy]ethyl]urea

Systemtic Name: 1-[2-[4-[2-(4-methoxyphenyl)-5-[2,2,2-tris(fluoranyl)ethoxy]-1,2,4-triazol-3-yl]phenoxy]ethyl]urea Openeye Name: 2-[4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenoxy]ethylurea CAS Name: 2-[4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenoxy]ethylurea IUPAC Name: 2-[4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenoxy]ethylurea Traditional Name: 2-[4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenoxy]ethylurea Formula: C20H20F3N5O4 MolecularWeight: 451.39911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC(=N2)OCC(F)(F)F)C3=CC=C(C=C3)OCCNC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC(=N2)OCC(F)(F)F)C3=CC=C(C=C3)OCCNC(=O)N

InChI

InChI=1S/C20H20F3N5O4/c1-30-15-8-4-14(5-9-15)28-17(26-19(27-28)32-12-20(21,22)23)13-2-6-16(7-3-13)31-11-10-25-18(24)29/h2-9H,10-12H2,1H3,(H3,24,25,29)