1-(4-chlorophenyl)-5-methyl-2-oxidanyl-3-(1,2,4-triazol-1-yl)hexane-1,4-dione

Systemtic Name: 1-(4-chlorophenyl)-5-methyl-2-oxidanyl-3-(1,2,4-triazol-1-yl)hexane-1,4-dione Openeye Name: 1-(4-chlorophenyl)-2-hydroxy-5-methyl-3-(1,2,4-triazol-1-yl)hexane-1,4-dione CAS Name: 1-(4-chlorophenyl)-2-hydroxy-5-methyl-3-(1,2,4-triazol-1-yl)hexane-1,4-dione IUPAC Name: 1-(4-chlorophenyl)-2-hydroxy-5-methyl-3-(1,2,4-triazol-1-yl)hexane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-2-hydroxy-5-methyl-3-(1,2,4-triazol-1-yl)hexane-1,4-dione Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C(C(=O)C1=CC=C(C=C1)Cl)O)N2C=NC=N2

Isomeric SMILES

CC(C)C(=O)C(C(C(=O)C1=CC=C(C=C1)Cl)O)N2C=NC=N2

InChI

InChI=1S/C15H16ClN3O3/c1-9(2)13(20)12(19-8-17-7-18-19)15(22)14(21)10-3-5-11(16)6-4-10/h3-9,12,15,22H,1-2H3