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

Systemtic Name: 5-chloranyl-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-N-(2-benzoylbenzofuran-3-yl)-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(2-benzoyl-3-benzofuranyl)-5-chloro-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-N-(2-benzoylbenzofuran-3-yl)-5-chloro-pyrimidine-4-carboxamide Formula: C23H16ClN3O3S MolecularWeight: 449.90944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClN3O3S/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/h2-11,13H,1,12H2,(H,26,29)