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

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-propyl-1,2,4-triazol-3-one Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-propyl-1,2,4-triazol-3-one CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-propyl-1,2,4-triazol-3-one IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-propyl-1,2,4-triazol-3-one Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-propyl-1,2,4-triazol-3-one Formula: C13H16ClN3O MolecularWeight: 265.73864

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)N(C(=N1)C2=CC=C(C=C2)Cl)CC

Isomeric SMILES

CCCN1C(=O)N(C(=N1)C2=CC=C(C=C2)Cl)CC

InChI

InChI=1S/C13H16ClN3O/c1-3-9-17-13(18)16(4-2)12(15-17)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3