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

Systemtic Name: 3-[(4-chloranylphenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-hex-5-yn-3-ol Openeye Name: 3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-hex-5-yn-3-ol CAS Name: 3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-5-hexyn-3-ol IUPAC Name: 3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethylhex-5-yn-3-ol Traditional Name: 3-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-hex-5-yn-3-ol Formula: C17H20ClN3O2 MolecularWeight: 333.8126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O2/c1-5-10-17(22,16(2,3)4)15(21-12-19-11-20-21)23-14-8-6-13(18)7-9-14/h1,6-9,11-12,15,22H,10H2,2-4H3