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

Systemtic Name: (E)-1-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-1-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-1-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-1-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-1-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C13H12ClN3O MolecularWeight: 261.70688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(=O)/C=C/C1=CC=C(C=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C13H12ClN3O/c1-10(17-9-15-8-16-17)13(18)7-4-11-2-5-12(14)6-3-11/h2-10H,1H3/b7-4+