N-[2-(cyanomethylsulfanyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC=CC=C2SCC#N)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC=CC=C2SCC#N)C

InChI

InChI=1S/C17H18N4OS2/c1-11-12(2)19-17(20-13(11)3)24-10-16(22)21-14-6-4-5-7-15(14)23-9-8-18/h4-7H,9-10H2,1-3H3,(H,21,22)