5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[(2-ethoxy-2-oxoethyl)thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-(2-ethoxy-2-oxoethyl)sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[(2-ethoxy-2-keto-ethyl)thio]-6-phenyl-pyrimidin-4-olate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(=N1)[O-])C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(=N1)[O-])C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H13N3O3S/c1-2-21-12(19)9-22-15-17-13(10-6-4-3-5-7-10)11(8-16)14(20)18-15/h3-7H,2,9H2,1H3,(H,17,18,20)/p-1