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

Systemtic Name: 5-chloranyl-N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(4-methylbenzoyl)benzofuran-3-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(propylthio)-N-(2-p-toluoylbenzofuran-3-yl)pyrimidine-4-carboxamide Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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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=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O3S/c1-3-12-32-24-26-13-17(25)20(28-24)23(30)27-19-16-6-4-5-7-18(16)31-22(19)21(29)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,27,30)