N-(cyanomethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4OS/c1-16-14-19(17-8-4-2-5-9-17)24-21(23-16)27-15-20(26)25(13-12-22)18-10-6-3-7-11-18/h2-11,14H,13,15H2,1H3