5-chloranyl-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(2-benzoylbenzofuran-3-yl)-5-chloro-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(2-benzoyl-3-benzofuranyl)-5-chloro-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(2-benzoylbenzofuran-3-yl)-5-chloro-2-(propylthio)pyrimidine-4-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-2-12-31-23-25-13-16(24)19(27-23)22(29)26-18-15-10-6-7-11-17(15)30-21(18)20(28)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,26,29)