ethyl 3-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 3-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 3-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]methyl]benzoic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C22H19N3O3S/c1-3-28-21(27)17-6-4-5-15(11-17)13-29-22-24-19(18(12-23)20(26)25-22)16-9-7-14(2)8-10-16/h4-11H,3,13H2,1-2H3,(H,24,25,26)