2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[(5-cyano-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C#N

InChI

InChI=1S/C22H18N4O2S/c1-14-19(12-23)22(26-21(24-14)17-6-4-3-5-7-17)29-13-20(28)25-18-10-8-16(9-11-18)15(2)27/h3-11H,13H2,1-2H3,(H,25,28)