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

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

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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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-2-12-28-21(27)17-10-8-15(9-11-17)14-29-22-24-19(16-6-4-3-5-7-16)18(13-23)20(26)25-22/h3-11H,2,12,14H2,1H3,(H,24,25,26)