6-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[(E)-cinnamyl]sulfanyl-6-ethyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[(E)-3-phenylprop-2-enyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(E)-cinnamyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C15H15N2OS- MolecularWeight: 271.3574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC=CC2=CC=CC=C2)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SC/C=C/C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H16N2OS/c1-2-13-11-14(18)17-15(16-13)19-10-6-9-12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3,(H,16,17,18)/p-1/b9-6+