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

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-prop-2-ynyl-1,2,4-triazol-3-one Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-prop-2-ynyl-1,2,4-triazol-3-one CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-prop-2-ynyl-1,2,4-triazol-3-one IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-prop-2-ynyl-1,2,4-triazol-3-one Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-propargyl-1,2,4-triazol-3-one Formula: C13H12ClN3O MolecularWeight: 261.70688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O/c1-3-9-17-13(18)16(4-2)12(15-17)10-5-7-11(14)8-6-10/h1,5-8H,4,9H2,2H3