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

Systemtic Name: 5-chloranyl-N-[2-(3-fluoranyl-4-methyl-phenyl)carbonyl-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[2-(3-fluoro-4-methyl-benzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(3-fluoro-4-methylphenyl)-oxomethyl]-3-benzofuranyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[2-(3-fluoro-4-methyl-benzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide Formula: C24H17ClFN3O3S MolecularWeight: 481.926483

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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)SCC=C)F

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClFN3O3S/c1-3-10-33-24-27-12-16(25)20(29-24)23(31)28-19-15-6-4-5-7-18(15)32-22(19)21(30)14-9-8-13(2)17(26)11-14/h3-9,11-12H,1,10H2,2H3,(H,28,31)