1-[3-(4-chloranylphenoxy)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]butan-1-one

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]butan-1-one Openeye Name: 1-[3-(4-chlorophenoxy)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]butan-1-one CAS Name: 1-[3-(4-chlorophenoxy)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]-1-butanone IUPAC Name: 1-[3-(4-chlorophenoxy)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]butan-1-one Traditional Name: 1-[3-(4-chlorophenoxy)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]butan-1-one Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(N1)(C)C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(=O)N1C(=NC(N1)(C)C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN3O2/c1-4-5-12(19)18-13(16-14(2,3)17-18)20-11-8-6-10(15)7-9-11/h6-9,17H,4-5H2,1-3H3