5-cyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H14N3O3S- MolecularWeight: 376.40846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

InChI

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