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

Systemtic Name: 5-cyano-6-ethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-ethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-ethyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-ethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-6-ethyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]pyrimidin-4-olate Formula: C15H11N4O4S- MolecularWeight: 343.33724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[O-])C#N

InChI

InChI=1S/C15H12N4O4S/c1-2-12-11(7-16)14(21)18-15(17-12)24-8-13(20)9-3-5-10(6-4-9)19(22)23/h3-6H,2,8H2,1H3,(H,17,18,21)/p-1