3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butan-2-one

Systemtic Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butan-2-one Openeye Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butan-2-one CAS Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-2-butanone IUPAC Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butan-2-one Traditional Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butan-2-one Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=NN(C=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C)OC1=NN(C=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-9(16)10(2)17-12-13-8-15(14-12)11-6-4-3-5-7-11/h3-8,10H,1-2H3