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

Systemtic Name: 5-chloranyl-N-[2-(4-fluorophenyl)carbonyl-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[2-(4-fluorobenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-fluorophenyl)-oxomethyl]-3-benzofuranyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[2-(4-fluorobenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide Formula: C23H15ClFN3O3S MolecularWeight: 467.899903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClFN3O3S/c1-2-11-32-23-26-12-16(24)19(28-23)22(30)27-18-15-5-3-4-6-17(15)31-21(18)20(29)13-7-9-14(25)10-8-13/h2-10,12H,1,11H2,(H,27,30)