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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]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)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

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