3-hex-3-yn-2-yloxy-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-hex-3-yn-2-yloxy-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(1-methylpent-2-ynoxy)-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-hex-3-yn-2-yloxy-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-hex-3-yn-2-yloxy-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(1-methylpent-2-ynoxy)-4-phenyl-1H-1,2,4-triazol-5-one Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C)OC1=NNC(=O)N1C2=CC=CC=C2

Isomeric SMILES

CCC#CC(C)OC1=NNC(=O)N1C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2/c1-3-4-8-11(2)19-14-16-15-13(18)17(14)12-9-6-5-7-10-12/h5-7,9-11H,3H2,1-2H3,(H,15,18)