(E)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one Formula: C17H13N3O MolecularWeight: 275.30462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O/c21-17(11-6-14-4-2-1-3-5-14)15-7-9-16(10-8-15)20-13-18-12-19-20/h1-13H/b11-6+