5-cyano-2-phenacylsulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-phenacylsulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-phenacylsulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-(phenacylthio)-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-phenacylsulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-(phenacylthio)-6-phenyl-pyrimidin-4-olate Formula: C19H12N3O2S- MolecularWeight: 346.38248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O2S/c20-11-15-17(14-9-5-2-6-10-14)21-19(22-18(15)24)25-12-16(23)13-7-3-1-4-8-13/h1-10H,12H2,(H,21,22,24)/p-1