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

Systemtic Name: 1-(4-chlorophenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-(4-chlorophenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-(4-chlorophenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-(4-chlorophenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazol-1-yl)pentan-3-one Formula: C17H19ClN6O MolecularWeight: 358.82536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(C1=CC=C(C=C1)Cl)N2C=NC=N2)N3C=NC=N3

Isomeric SMILES

CC(C)(C)C(=O)C(C(C1=CC=C(C=C1)Cl)N2C=NC=N2)N3C=NC=N3

InChI

InChI=1S/C17H19ClN6O/c1-17(2,3)16(25)15(24-11-20-9-22-24)14(23-10-19-8-21-23)12-4-6-13(18)7-5-12/h4-11,14-15H,1-3H3