1-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-2-one

Systemtic Name: 1-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-2-one Openeye Name: 1-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-2-one CAS Name: 1-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-2-propanone IUPAC Name: 1-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-2-one Traditional Name: 1-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetone Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=CC=C2)CC(=O)C

Isomeric SMILES

CC1=NC(=NN1C2=CC=CC=C2)CC(=O)C

InChI

InChI=1S/C12H13N3O/c1-9(16)8-12-13-10(2)15(14-12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3