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

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[2-(4-methylbenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-(2-p-toluoylbenzofuran-3-yl)pyrimidine-4-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O3S/c1-3-31-23-25-12-16(24)19(27-23)22(29)26-18-15-6-4-5-7-17(15)30-21(18)20(28)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H,26,29)