N-(3-ethanoylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-2-[(4-fluorophenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-2-[(4-fluorobenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C26H20FN3O2S2 MolecularWeight: 489.584303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H20FN3O2S2/c1-17(31)19-6-5-7-21(14-19)29-25(32)24-23(34-22-8-3-2-4-9-22)15-28-26(30-24)33-16-18-10-12-20(27)13-11-18/h2-15H,16H2,1H3,(H,29,32)