2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C25H18N4O3S MolecularWeight: 454.50042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H18N4O3S/c26-15-21-23(17-7-3-1-4-8-17)28-25(29-24(21)31)33-16-22(30)27-18-11-13-20(14-12-18)32-19-9-5-2-6-10-19/h1-14H,16H2,(H,27,30)(H,28,29,31)