5-chloranyl-2-ethylsulfanyl-N-[2-(4-fluorophenyl)carbonyl-1-benzofuran-3-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[2-(4-fluorophenyl)carbonyl-1-benzofuran-3-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[2-(4-fluorobenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[2-[(4-fluorophenyl)-oxomethyl]-3-benzofuranyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[2-(4-fluorobenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide Formula: C22H15ClFN3O3S MolecularWeight: 455.889203

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H15ClFN3O3S/c1-2-31-22-25-11-15(23)18(27-22)21(29)26-17-14-5-3-4-6-16(14)30-20(17)19(28)12-7-9-13(24)10-8-12/h3-11H,2H2,1H3,(H,26,29)