(E)-6-(4-chloranylphenoxy)-4-(1,2,4-triazol-1-yl)hex-5-en-3-one

Systemtic Name: (E)-6-(4-chloranylphenoxy)-4-(1,2,4-triazol-1-yl)hex-5-en-3-one Openeye Name: (E)-6-(4-chlorophenoxy)-4-(1,2,4-triazol-1-yl)hex-5-en-3-one CAS Name: (E)-6-(4-chlorophenoxy)-4-(1,2,4-triazol-1-yl)-5-hexen-3-one IUPAC Name: (E)-6-(4-chlorophenoxy)-4-(1,2,4-triazol-1-yl)hex-5-en-3-one Traditional Name: (E)-6-(4-chlorophenoxy)-4-(1,2,4-triazol-1-yl)hex-5-en-3-one Formula: C14H14ClN3O2 MolecularWeight: 291.73286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C=COC1=CC=C(C=C1)Cl)N2C=NC=N2

Isomeric SMILES

CCC(=O)C(/C=C/OC1=CC=C(C=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C14H14ClN3O2/c1-2-14(19)13(18-10-16-9-17-18)7-8-20-12-5-3-11(15)4-6-12/h3-10,13H,2H2,1H3/b8-7+