1-(4-chlorophenyl)-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)pentan-1-one

Systemtic Name: 1-(4-chlorophenyl)-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)pentan-1-one Openeye Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)pentan-1-one CAS Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)-1-pentanone IUPAC Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)pentan-1-one Traditional Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)pentan-1-one Formula: C14H16ClN3O2 MolecularWeight: 293.74874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=NC=N1)(C(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCCC(CN1C=NC=N1)(C(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H16ClN3O2/c1-2-7-14(20,8-18-10-16-9-17-18)13(19)11-3-5-12(15)6-4-11/h3-6,9-10,20H,2,7-8H2,1H3