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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-13(26)15-5-3-7-17(9-15)23-19(27)10-18-11-20(28)25-21(24-18)29-12-14-4-2-6-16(22)8-14/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,25,28)