(E)-1-(4-chlorophenyl)-5-phenyl-2-(1,2,4-triazol-1-yl)pent-2-en-4-yn-1-one

Systemtic Name: (E)-1-(4-chlorophenyl)-5-phenyl-2-(1,2,4-triazol-1-yl)pent-2-en-4-yn-1-one Openeye Name: (E)-1-(4-chlorophenyl)-5-phenyl-2-(1,2,4-triazol-1-yl)pent-2-en-4-yn-1-one CAS Name: (E)-1-(4-chlorophenyl)-5-phenyl-2-(1,2,4-triazol-1-yl)-1-pent-2-en-4-ynone IUPAC Name: (E)-1-(4-chlorophenyl)-5-phenyl-2-(1,2,4-triazol-1-yl)pent-2-en-4-yn-1-one Traditional Name: (E)-1-(4-chlorophenyl)-5-phenyl-2-(1,2,4-triazol-1-yl)pent-2-en-4-yn-1-one Formula: C19H12ClN3O MolecularWeight: 333.77108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC=C(C(=O)C2=CC=C(C=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)C#C/C=C(\C(=O)C2=CC=C(C=C2)Cl)/N3C=NC=N3

InChI

InChI=1S/C19H12ClN3O/c20-17-11-9-16(10-12-17)19(24)18(23-14-21-13-22-23)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-14H/b18-8+