5-cyano-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-6-thiophen-2-yl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-6-(2-thienyl)pyrimidin-4-olate Formula: C17H9N4O4S2- MolecularWeight: 397.40776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CS3

InChI

InChI=1S/C17H10N4O4S2/c18-8-12-15(14-5-2-6-26-14)19-17(20-16(12)23)27-9-13(22)10-3-1-4-11(7-10)21(24)25/h1-7H,9H2,(H,19,20,23)/p-1