N-(4-phenoxyphenyl)-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-phenoxyphenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-phenoxyphenyl)-2-(3,4,4-trifluorobut-3-enylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-phenoxyphenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-phenoxyphenyl)-2-(3,4,4-trifluorobut-3-enylthio)nicotinamide Formula: C22H17F3N2O2S MolecularWeight: 430.44279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SCCC(=C(F)F)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SCCC(=C(F)F)F

InChI

InChI=1S/C22H17F3N2O2S/c23-19(20(24)25)12-14-30-22-18(7-4-13-26-22)21(28)27-15-8-10-17(11-9-15)29-16-5-2-1-3-6-16/h1-11,13H,12,14H2,(H,27,28)