(E)-1-(4-bromophenyl)-4-ethoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: (E)-1-(4-bromophenyl)-4-ethoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-1-(4-bromophenyl)-4-ethoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-1-(4-bromophenyl)-4-ethoxy-4-methyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-1-(4-bromophenyl)-4-ethoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-1-(4-bromophenyl)-4-ethoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C16H18BrN3O2 MolecularWeight: 364.23702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)C(=O)C(=CC1=CC=C(C=C1)Br)N2C=NC=N2

Isomeric SMILES

CCOC(C)(C)C(=O)/C(=C\C1=CC=C(C=C1)Br)/N2C=NC=N2

InChI

InChI=1S/C16H18BrN3O2/c1-4-22-16(2,3)15(21)14(20-11-18-10-19-20)9-12-5-7-13(17)8-6-12/h5-11H,4H2,1-3H3/b14-9+