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

Systemtic Name: propyl 4-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: propyl 4-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]methyl]benzoic acid propyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-3-12-29-22(28)18-10-6-16(7-11-18)14-30-23-25-20(19(13-24)21(27)26-23)17-8-4-15(2)5-9-17/h4-11H,3,12,14H2,1-2H3,(H,25,26,27)