4-methyl-5-[3-oxidanylidenebutylsulfanyl-[2,3,6-tris(fluoranyl)phenyl]methyl]pyridine-2-carboxamide

Systemtic Name: 4-methyl-5-[3-oxidanylidenebutylsulfanyl-[2,3,6-tris(fluoranyl)phenyl]methyl]pyridine-2-carboxamide Openeye Name: 4-methyl-5-[3-oxobutylsulfanyl-(2,3,6-trifluorophenyl)methyl]pyridine-2-carboxamide CAS Name: 4-methyl-5-[(3-oxobutylthio)-(2,3,6-trifluorophenyl)methyl]-2-pyridinecarboxamide IUPAC Name: 4-methyl-5-[3-oxobutylsulfanyl-(2,3,6-trifluorophenyl)methyl]pyridine-2-carboxamide Traditional Name: 5-[(3-ketobutylthio)-(2,3,6-trifluorophenyl)methyl]-4-methyl-picolinamide Formula: C18H17F3N2O2S MolecularWeight: 382.39999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1C(C2=C(C=CC(=C2F)F)F)SCCC(=O)C)C(=O)N

Isomeric SMILES

CC1=CC(=NC=C1C(C2=C(C=CC(=C2F)F)F)SCCC(=O)C)C(=O)N

InChI

InChI=1S/C18H17F3N2O2S/c1-9-7-14(18(22)25)23-8-11(9)17(26-6-5-10(2)24)15-12(19)3-4-13(20)16(15)21/h3-4,7-8,17H,5-6H2,1-2H3,(H2,22,25)