1-(2,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(2,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(2,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-(2,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(2,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(2,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanone Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CN2C=NC=N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C=NC=N2)C

InChI

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