N-(3-chloranyl-4-fluoranyl-phenyl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide Formula: C21H19ClFN3O2S MolecularWeight: 431.910863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H19ClFN3O2S/c1-12-16(11-19(27)25-15-8-9-18(23)17(22)10-15)20(28)26-21(24-12)29-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,25,27)(H,24,26,28)