4-bromanyl-3,3-dimethyl-1-(4-phenoxyphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 4-bromanyl-3,3-dimethyl-1-(4-phenoxyphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 4-bromo-3,3-dimethyl-1-(4-phenoxyphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 4-bromo-3,3-dimethyl-1-(4-phenoxyphenoxy)-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 4-bromo-3,3-dimethyl-1-(4-phenoxyphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 4-bromo-3,3-dimethyl-1-(4-phenoxyphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CBr)C(C(N1C=NC=N1)OC2=CC=C(C=C2)OC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(CBr)C(C(N1C=NC=N1)OC2=CC=C(C=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C20H22BrN3O3/c1-20(2,12-21)18(25)19(24-14-22-13-23-24)27-17-10-8-16(9-11-17)26-15-6-4-3-5-7-15/h3-11,13-14,18-19,25H,12H2,1-2H3