5-chloranyl-N-[2-(3-fluoranyl-4-methyl-phenyl)carbonyl-1-benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(3-fluoranyl-4-methyl-phenyl)carbonyl-1-benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3-fluoro-4-methyl-benzoyl)benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(3-fluoro-4-methylphenyl)-oxomethyl]-3-benzofuranyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(3-fluoro-4-methyl-benzoyl)benzofuran-3-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H15ClFN3O3S MolecularWeight: 455.889203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Cl)SC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Cl)SC)F

InChI

InChI=1S/C22H15ClFN3O3S/c1-11-7-8-12(9-15(11)24)19(28)20-17(13-5-3-4-6-16(13)30-20)26-21(29)18-14(23)10-25-22(27-18)31-2/h3-10H,1-2H3,(H,26,29)