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

Systemtic Name: 2-(2-acetamido-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(2-acetamido-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-acetamido-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(2-acetamido-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[2-acetamido-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C17H14F3N5O2S2 MolecularWeight: 441.45057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)SC

Isomeric SMILES

CC(=O)NC1=NC(=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)SC

InChI

InChI=1S/C17H14F3N5O2S2/c1-9(26)22-16-24-14(28-2)12(7-21)15(25-16)29-8-13(27)23-11-5-3-4-10(6-11)17(18,19)20/h3-6H,8H2,1-2H3,(H,23,27)(H,22,24,25,26)