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

Systemtic Name: 4-(4-bromanylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-(4-bromophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-(4-bromophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-(4-bromophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-(4-bromophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)Br)C(=O)CN2C=NC=N2

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)Br)C(=O)CN2C=NC=N2

InChI

InChI=1S/C14H16BrN3O2/c1-14(2,13(19)7-18-10-16-9-17-18)8-20-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3