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

Systemtic Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[(E)-cinnamyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(E)-cinnamyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H13N2OS- MolecularWeight: 257.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC=CC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC/C=C/C2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H14N2OS/c1-11-10-13(17)16-14(15-11)18-9-5-8-12-6-3-2-4-7-12/h2-8,10H,9H2,1H3,(H,15,16,17)/p-1/b8-5+