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

Systemtic Name: 5-ethyl-6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[(E)-cinnamyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-4-pyrimidinolate IUPAC Name: 5-ethyl-6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(E)-cinnamyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C16H17N2OS- MolecularWeight: 285.38398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC=CC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SC/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2OS/c1-3-14-12(2)17-16(18-15(14)19)20-11-7-10-13-8-5-4-6-9-13/h4-10H,3,11H2,1-2H3,(H,17,18,19)/p-1/b10-7+