5-phenyl-2,4-bis(prop-2-ynyl)-1,2,4-triazol-3-one

Systemtic Name: 5-phenyl-2,4-bis(prop-2-ynyl)-1,2,4-triazol-3-one Openeye Name: 5-phenyl-2,4-bis(prop-2-ynyl)-1,2,4-triazol-3-one CAS Name: 5-phenyl-2,4-bis(prop-2-ynyl)-1,2,4-triazol-3-one IUPAC Name: 5-phenyl-2,4-bis(prop-2-ynyl)-1,2,4-triazol-3-one Traditional Name: 5-phenyl-2,4-dipropargyl-1,2,4-triazol-3-one Formula: C14H11N3O MolecularWeight: 237.25664

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=NN(C1=O)CC#C)C2=CC=CC=C2

Isomeric SMILES

C#CCN1C(=NN(C1=O)CC#C)C2=CC=CC=C2

InChI

InChI=1S/C14H11N3O/c1-3-10-16-13(12-8-6-5-7-9-12)15-17(11-4-2)14(16)18/h1-2,5-9H,10-11H2