6-bromanyl-3-[(4-chloranylphenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-hex-5-yn-3-ol

Systemtic Name: 6-bromanyl-3-[(4-chloranylphenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-hex-5-yn-3-ol Openeye Name: 6-bromo-3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-hex-5-yn-3-ol CAS Name: 6-bromo-3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-5-hexyn-3-ol IUPAC Name: 6-bromo-3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethylhex-5-yn-3-ol Traditional Name: 6-bromo-3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-hex-5-yn-3-ol Formula: C17H19BrClN3O2 MolecularWeight: 412.70866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC#CBr)(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)C(CC#CBr)(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C17H19BrClN3O2/c1-16(2,3)17(23,9-4-10-18)15(22-12-20-11-21-22)24-14-7-5-13(19)6-8-14/h5-8,11-12,15,23H,9H2,1-3H3