5-phenyl-2-prop-2-ynyl-1H-1,2,4-triazol-3-one

Systemtic Name: 5-phenyl-2-prop-2-ynyl-1H-1,2,4-triazol-3-one Openeye Name: 5-phenyl-2-prop-2-ynyl-1H-1,2,4-triazol-3-one CAS Name: 5-phenyl-2-prop-2-ynyl-1H-1,2,4-triazol-3-one IUPAC Name: 5-phenyl-2-prop-2-ynyl-1H-1,2,4-triazol-3-one Traditional Name: 5-phenyl-2-propargyl-1H-1,2,4-triazol-3-one Formula: C11H9N3O MolecularWeight: 199.20866

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)N=C(N1)C2=CC=CC=C2

Isomeric SMILES

C#CCN1C(=O)N=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C11H9N3O/c1-2-8-14-11(15)12-10(13-14)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,12,13,15)