5-chloranyl-N-(4-ethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-ethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-ethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-ethylphenyl)-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-ethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-ethylphenyl)-2-[(2-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C20H17ClFN3OS MolecularWeight: 401.884883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H17ClFN3OS/c1-2-13-7-9-15(10-8-13)24-19(26)18-16(21)11-23-20(25-18)27-12-14-5-3-4-6-17(14)22/h3-11H,2,12H2,1H3,(H,24,26)