1-[1-(3-ethynylphenyl)-5-methyl-1,2,3-triazol-4-yl]ethanone

Systemtic Name: 1-[1-(3-ethynylphenyl)-5-methyl-1,2,3-triazol-4-yl]ethanone Openeye Name: 1-[1-(3-ethynylphenyl)-5-methyl-triazol-4-yl]ethanone CAS Name: 1-[1-(3-ethynylphenyl)-5-methyl-4-triazolyl]ethanone IUPAC Name: 1-[1-(3-ethynylphenyl)-5-methyltriazol-4-yl]ethanone Traditional Name: 1-[1-(3-ethynylphenyl)-5-methyl-triazol-4-yl]ethanone Formula: C13H11N3O MolecularWeight: 225.24594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC(=C2)C#C)C(=O)C

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC(=C2)C#C)C(=O)C

InChI

InChI=1S/C13H11N3O/c1-4-11-6-5-7-12(8-11)16-9(2)13(10(3)17)14-15-16/h1,5-8H,2-3H3