2-phenylsulfanyl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide CAS Name: N-[3-[oxo-(2,2,2-trifluoroethylamino)methyl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]nicotinamide Formula: C21H16F3N3O2S MolecularWeight: 431.43085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(=O)NCC(F)(F)F

InChI

InChI=1S/C21H16F3N3O2S/c22-21(23,24)13-26-18(28)14-6-4-7-15(12-14)27-19(29)17-10-5-11-25-20(17)30-16-8-2-1-3-9-16/h1-12H,13H2,(H,26,28)(H,27,29)