N-[2-(cyanomethylsulfanyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(2,6-dimethylpyrimidin-4-yl)thio]acetamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C16H16N4OS2/c1-11-9-16(19-12(2)18-11)23-10-15(21)20-13-5-3-4-6-14(13)22-8-7-17/h3-6,9H,8,10H2,1-2H3,(H,20,21)