2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(2-ethylphenyl)acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O2S/c1-3-16-8-4-5-10-19(16)25-20(27)12-18-14(2)24-22(26-21(18)28)29-13-15-7-6-9-17(23)11-15/h4-11H,3,12-13H2,1-2H3,(H,25,27)(H,24,26,28)