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

Systemtic Name: 5-ethyl-3-(2-methylphenyl)-6-oxidanylidene-2-phenacylsulfanyl-pyrimidin-4-olate Openeye Name: 5-ethyl-3-(o-tolyl)-6-oxo-2-phenacylsulfanyl-pyrimidin-4-olate CAS Name: 5-ethyl-3-(2-methylphenyl)-6-oxo-2-(phenacylthio)-4-pyrimidinolate IUPAC Name: 5-ethyl-3-(2-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-3-(o-tolyl)-2-(phenacylthio)pyrimidin-4-olate Formula: C21H19N2O3S- MolecularWeight: 379.45216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3C)[O-]

InChI

InChI=1S/C21H20N2O3S/c1-3-16-19(25)22-21(27-13-18(24)15-10-5-4-6-11-15)23(20(16)26)17-12-8-7-9-14(17)2/h4-12,26H,3,13H2,1-2H3/p-1