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

Systemtic Name: 6-(4-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 6-(4-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-pyrimidin-4-olate CAS Name: 6-(4-chlorophenyl)-5-cyano-2-[(2-ethoxy-2-oxoethyl)thio]-4-pyrimidinolate IUPAC Name: 6-(4-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)sulfanylpyrimidin-4-olate Traditional Name: 6-(4-chlorophenyl)-5-cyano-2-[(2-ethoxy-2-keto-ethyl)thio]pyrimidin-4-olate Formula: C15H11ClN3O3S- MolecularWeight: 348.78414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O3S/c1-2-22-12(20)8-23-15-18-13(11(7-17)14(21)19-15)9-3-5-10(16)6-4-9/h3-6H,2,8H2,1H3,(H,18,19,21)/p-1