4-ethyl-5-(3-fluorophenyl)-2-prop-2-ynyl-1,2,4-triazol-3-one

Systemtic Name: 4-ethyl-5-(3-fluorophenyl)-2-prop-2-ynyl-1,2,4-triazol-3-one Openeye Name: 4-ethyl-5-(3-fluorophenyl)-2-prop-2-ynyl-1,2,4-triazol-3-one CAS Name: 4-ethyl-5-(3-fluorophenyl)-2-prop-2-ynyl-1,2,4-triazol-3-one IUPAC Name: 4-ethyl-5-(3-fluorophenyl)-2-prop-2-ynyl-1,2,4-triazol-3-one Traditional Name: 4-ethyl-5-(3-fluorophenyl)-2-propargyl-1,2,4-triazol-3-one Formula: C13H12FN3O MolecularWeight: 245.252283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12FN3O/c1-3-8-17-13(18)16(4-2)12(15-17)10-6-5-7-11(14)9-10/h1,5-7,9H,4,8H2,2H3