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

Systemtic Name: 1-(4-chlorophenyl)-2,3-bis(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(4-chlorophenyl)-2,3-bis(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(4-chlorophenyl)-2,3-bis(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(4-chlorophenyl)-2,3-bis(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(4-chlorophenyl)-2,3-bis(1,2,4-triazol-1-yl)propan-1-one Formula: C13H11ClN6O MolecularWeight: 302.71904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CN2C=NC=N2)N3C=NC=N3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CN2C=NC=N2)N3C=NC=N3)Cl

InChI

InChI=1S/C13H11ClN6O/c14-11-3-1-10(2-4-11)13(21)12(20-9-16-7-18-20)5-19-8-15-6-17-19/h1-4,6-9,12H,5H2