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

Systemtic Name: (E)-3-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(3-pyridyl)prop-2-en-1-one Formula: C16H11FN4O MolecularWeight: 294.283143

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN4O/c17-14-8-12(3-5-15(14)21-11-19-10-20-21)4-6-16(22)13-2-1-7-18-9-13/h1-11H/b6-4+