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

Systemtic Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-yn-3-ol Openeye Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-yn-3-ol CAS Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-1-pentyn-3-ol IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-yn-3-ol Traditional Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-yn-3-ol Formula: C16H18ClN3O MolecularWeight: 303.78662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=NC=N1)(C#CC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)C(CN1C=NC=N1)(C#CC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H18ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,10H2,1-3H3