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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(C=N1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=O)CC1=NN(C=N1)C2=CC(=CC=C2)Cl

InChI

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