1-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propan-2-one

Systemtic Name: 1-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propan-2-one Openeye Name: 1-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propan-2-one CAS Name: 1-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-propanone IUPAC Name: 1-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propan-2-one Traditional Name: 1-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetone Formula: C12H13N3O2 MolecularWeight: 231.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(C=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)CC1=NN(C=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H13N3O2/c1-9(16)7-12-13-8-15(14-12)10-3-5-11(17-2)6-4-10/h3-6,8H,7H2,1-2H3