1-(2,4-dichlorophenyl)-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)butan-1-one

Systemtic Name: 1-(2,4-dichlorophenyl)-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)butan-1-one Openeye Name: 1-(2,4-dichlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)butan-1-one CAS Name: 1-(2,4-dichlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)-1-butanone IUPAC Name: 1-(2,4-dichlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)butan-1-one Traditional Name: 1-(2,4-dichlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)butan-1-one Formula: C13H13Cl2N3O2 MolecularWeight: 314.16722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2N3O2/c1-2-13(20,6-18-8-16-7-17-18)12(19)10-4-3-9(14)5-11(10)15/h3-5,7-8,20H,2,6H2,1H3