2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N4O2S/c1-14-7-9-16(10-8-14)19-17(11-22)20(27)25-21(24-19)28-13-18(26)23-12-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,23,26)(H,24,25,27)