2-(2,4-dichlorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)heptan-3-one

Systemtic Name: 2-(2,4-dichlorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)heptan-3-one Openeye Name: 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)heptan-3-one CAS Name: 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)-3-heptanone IUPAC Name: 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)heptan-3-one Traditional Name: 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)heptan-3-one Formula: C15H17Cl2N3O2 MolecularWeight: 342.22038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCCCC(=O)C(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C15H17Cl2N3O2/c1-2-3-4-14(21)15(22,8-20-10-18-9-19-20)12-6-5-11(16)7-13(12)17/h5-7,9-10,22H,2-4,8H2,1H3