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

Systemtic Name: (E)-1-pyridin-3-yl-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(3-pyridyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(3-pyridinyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-pyridin-3-yl-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(3-pyridyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one Formula: C16H12N4O MolecularWeight: 276.29268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)C=CC2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O/c21-16(14-2-1-9-17-10-14)8-5-13-3-6-15(7-4-13)20-12-18-11-19-20/h1-12H/b8-5+