5-ethyl-6-oxidanylidene-3-phenyl-2-prop-2-enylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-oxidanylidene-3-phenyl-2-prop-2-enylsulfanyl-pyrimidin-4-olate Openeye Name: 2-allylsulfanyl-5-ethyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-oxo-3-phenyl-2-(prop-2-enylthio)-4-pyrimidinolate IUPAC Name: 5-ethyl-6-oxo-3-phenyl-2-prop-2-enylsulfanylpyrimidin-4-olate Traditional Name: 2-(allylthio)-5-ethyl-6-keto-3-phenyl-pyrimidin-4-olate Formula: C15H15N2O2S- MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC=C)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC=C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H16N2O2S/c1-3-10-20-15-16-13(18)12(4-2)14(19)17(15)11-8-6-5-7-9-11/h3,5-9,19H,1,4,10H2,2H3/p-1