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

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H13F3N4O2S MolecularWeight: 430.40303

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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=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H13F3N4O2S/c21-20(22,23)13-7-4-8-14(9-13)25-16(28)11-30-19-26-17(12-5-2-1-3-6-12)15(10-24)18(29)27-19/h1-9H,11H2,(H,25,28)(H,26,27,29)