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

Systemtic Name: (E)-1-(3-bromophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-1-(3-bromophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-1-(3-bromophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-1-(3-bromophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-1-(3-bromophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C15H16BrN3O MolecularWeight: 334.21104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-5-4-6-12(16)7-11/h4-10H,1-3H3/b13-8+