1-(4-chloranylphenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)-4-pentyn-2-ol IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)C(CN1C=NC=N1)(COC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C#C)C(CN1C=NC=N1)(COC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H18ClN3O2/c1-4-15(2,3)16(21,9-20-12-18-11-19-20)10-22-14-7-5-13(17)6-8-14/h1,5-8,11-12,21H,9-10H2,2-3H3