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

Systemtic Name: (E)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)hept-1-en-3-one Openeye Name: (E)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)hept-1-en-3-one CAS Name: (E)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)-1-hepten-3-one IUPAC Name: (E)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)hept-1-en-3-one Traditional Name: (E)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)hept-1-en-3-one Formula: C15H16ClN3O MolecularWeight: 289.76004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O/c1-2-3-4-15(20)14(19-11-17-10-18-19)9-12-5-7-13(16)8-6-12/h5-11H,2-4H2,1H3/b14-9+