2-[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-1H-1,2,4-triazol-3-one CAS Name: 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1H-1,2,4-triazol-3-one Traditional Name: 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-1H-1,2,4-triazol-3-one Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)N3C(=O)N=CN3

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)N3C(=O)N=CN3

InChI

InChI=1S/C19H21N3O3/c1-11(2)16-9-15(5-6-17(16)23)25-18-12(3)7-14(8-13(18)4)22-19(24)20-10-21-22/h5-11,23H,1-4H3,(H,20,21,24)