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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-(4-ethylphenyl)acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-2-14-6-8-17(9-7-14)23-19(26)11-18-12-20(27)25-21(24-18)28-13-15-4-3-5-16(22)10-15/h3-10,12H,2,11,13H2,1H3,(H,23,26)(H,24,25,27)