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

Systemtic Name: 1-(4-chloranylphenoxy)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one Openeye Name: 1-(4-chlorophenoxy)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one CAS Name: 1-(4-chlorophenoxy)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(4-chlorophenoxy)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(4-chlorophenoxy)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=N1)C)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-10-18-11(2)20(19-10)15(14(21)16(3,4)5)22-13-8-6-12(17)7-9-13/h6-9,15H,1-5H3