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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)CN2C=NC=N2)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)CN2C=NC=N2)Cl

InChI

InChI=1S/C11H10ClN3O/c12-10-3-1-9(2-4-10)5-11(16)6-15-8-13-7-14-15/h1-4,7-8H,5-6H2