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

Systemtic Name: 5-chloranyl-N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(4-methylbenzoyl)benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(2-p-toluoylbenzofuran-3-yl)pyrimidine-4-carboxamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O3S/c1-12-7-9-13(10-8-12)19(27)20-17(14-5-3-4-6-16(14)29-20)25-21(28)18-15(23)11-24-22(26-18)30-2/h3-11H,1-2H3,(H,25,28)