1-[2-(3-chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]propan-2-one

Systemtic Name: 1-[2-(3-chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]propan-2-one Openeye Name: 1-[2-(3-chlorophenyl)-5-methyl-triazol-4-yl]propan-2-one CAS Name: 1-[2-(3-chlorophenyl)-5-methyl-4-triazolyl]-2-propanone IUPAC Name: 1-[2-(3-chlorophenyl)-5-methyltriazol-4-yl]propan-2-one Traditional Name: 1-[2-(3-chlorophenyl)-5-methyl-triazol-4-yl]acetone Formula: C12H12ClN3O MolecularWeight: 249.69618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CC(=O)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=NN(N=C1CC(=O)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H12ClN3O/c1-8(17)6-12-9(2)14-16(15-12)11-5-3-4-10(13)7-11/h3-5,7H,6H2,1-2H3