1-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-2-one

Systemtic Name: 1-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-2-one Openeye Name: 1-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-2-one CAS Name: 1-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-2-propanone IUPAC Name: 1-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-2-one Traditional Name: 1-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]acetone Formula: C11H10ClN3O MolecularWeight: 235.6696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)CN1C=NC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClN3O/c1-8(16)6-15-7-13-11(14-15)9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3