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

Systemtic Name: 5-chloranyl-N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[2-(4-methylbenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(2-p-toluoylbenzofuran-3-yl)pyrimidine-4-carboxamide Formula: C24H18ClN3O3S MolecularWeight: 463.93602

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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)SCC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3O3S/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/h3-11,13H,1,12H2,2H3,(H,27,30)