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

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C20H13F3N4O3S MolecularWeight: 446.40243

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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)OC(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C#N

InChI

InChI=1S/C20H13F3N4O3S/c21-20(22,23)30-14-8-6-13(7-9-14)25-16(28)11-31-19-26-17(12-4-2-1-3-5-12)15(10-24)18(29)27-19/h1-9H,11H2,(H,25,28)(H,26,27,29)