N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-4-ethyl-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-4-ethyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCC1=NC(=NC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H18ClN3O2S/c1-3-17-16(12-23-21(25-17)28-2)20(27)24-18-10-9-14(22)11-15(18)19(26)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,24,27)