5-cyano-6-(4-methoxyphenyl)-2-phenacylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(4-methoxyphenyl)-2-phenacylsulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-(4-methoxyphenyl)-2-phenacylsulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-(4-methoxyphenyl)-2-(phenacylthio)-4-pyrimidinolate IUPAC Name: 5-cyano-6-(4-methoxyphenyl)-2-phenacylsulfanylpyrimidin-4-olate Traditional Name: 5-cyano-6-(4-methoxyphenyl)-2-(phenacylthio)pyrimidin-4-olate Formula: C20H14N3O3S- MolecularWeight: 376.40846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=CC=C3)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=CC=C3)[O-])C#N

InChI

InChI=1S/C20H15N3O3S/c1-26-15-9-7-14(8-10-15)18-16(11-21)19(25)23-20(22-18)27-12-17(24)13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H,22,23,25)/p-1