(E)-1-(2-chlorophenyl)-4-methoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: (E)-1-(2-chlorophenyl)-4-methoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-1-(2-chlorophenyl)-4-methoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-1-(2-chlorophenyl)-4-methoxy-4-methyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-1-(2-chlorophenyl)-4-methoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-1-(2-chlorophenyl)-4-methoxy-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C15H16ClN3O2 MolecularWeight: 305.75944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(=CC1=CC=CC=C1Cl)N2C=NC=N2)OC

Isomeric SMILES

CC(C)(C(=O)/C(=C\C1=CC=CC=C1Cl)/N2C=NC=N2)OC

InChI

InChI=1S/C15H16ClN3O2/c1-15(2,21-3)14(20)13(19-10-17-9-18-19)8-11-6-4-5-7-12(11)16/h4-10H,1-3H3/b13-8+