2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-[3,5-bis(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-[3,5-bis(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-[3,5-bis(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-[3,5-bis(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide Formula: C16H11F6N5OS2 MolecularWeight: 467.411859

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C16H11F6N5OS2/c1-29-12-10(5-23)13(27-14(24)26-12)30-6-11(28)25-9-3-7(15(17,18)19)2-8(4-9)16(20,21)22/h2-4H,6H2,1H3,(H,25,28)(H2,24,26,27)