1-(3-phenethyl-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(3-phenethyl-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(3-phenethyl-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(3-phenethyl-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(3-phenethyl-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(3-phenethyl-1,2,4-triazol-1-yl)ethanone Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=NC(=N1)CCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C=NC(=N1)CCC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O/c1-10(16)15-9-13-12(14-15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3