5-ethyl-3-(4-methylphenyl)-6-oxidanylidene-2-prop-2-enylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-3-(4-methylphenyl)-6-oxidanylidene-2-prop-2-enylsulfanyl-pyrimidin-4-olate Openeye Name: 2-allylsulfanyl-5-ethyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 5-ethyl-3-(4-methylphenyl)-6-oxo-2-(prop-2-enylthio)-4-pyrimidinolate IUPAC Name: 5-ethyl-3-(4-methylphenyl)-6-oxo-2-prop-2-enylsulfanylpyrimidin-4-olate Traditional Name: 2-(allylthio)-5-ethyl-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-4-10-21-16-17-14(19)13(5-2)15(20)18(16)12-8-6-11(3)7-9-12/h4,6-9,20H,1,5,10H2,2-3H3/p-1