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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C20H14ClN5O5S MolecularWeight: 471.87366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H14ClN5O5S/c1-31-13-5-2-11(3-6-13)18-14(9-22)19(28)25-20(24-18)32-10-17(27)23-12-4-7-15(21)16(8-12)26(29)30/h2-8H,10H2,1H3,(H,23,27)(H,24,25,28)