2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-[[5-cyano-6-(2-furyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C25H19N5O7S MolecularWeight: 533.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CO4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CO4)C#N

InChI

InChI=1S/C25H19N5O7S/c1-2-35-17-5-7-18(8-6-17)37-19-11-15(10-16(12-19)30(33)34)27-22(31)14-38-25-28-23(21-4-3-9-36-21)20(13-26)24(32)29-25/h3-12H,2,14H2,1H3,(H,27,31)(H,28,29,32)