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

Systemtic Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C20H15N5O5S MolecularWeight: 437.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O5S/c1-30-15-4-2-3-12(9-15)18-16(10-21)19(27)24-20(23-18)31-11-17(26)22-13-5-7-14(8-6-13)25(28)29/h2-9H,11H2,1H3,(H,22,26)(H,23,24,27)