5-[[3,4-bis(fluoranyl)phenyl]methyl]-7-methyl-2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridine-4,6-dione

Systemtic Name: 5-[[3,4-bis(fluoranyl)phenyl]methyl]-7-methyl-2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridine-4,6-dione Openeye Name: 5-[(3,4-difluorophenyl)methyl]-7-methyl-2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridine-4,6-dione CAS Name: 5-[(3,4-difluorophenyl)methyl]-7-methyl-2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridine-4,6-dione IUPAC Name: 5-[(3,4-difluorophenyl)methyl]-7-methyl-2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridine-4,6-dione Traditional Name: 5-(3,4-difluorobenzyl)-7-methyl-2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridine-4,6-quinone Formula: C24H17F2NO2S MolecularWeight: 421.459086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)C2=C1SC(=C2)C#CCC3=CC=CC=C3)CC4=CC(=C(C=C4)F)F

Isomeric SMILES

CN1C(=O)C(C(=O)C2=C1SC(=C2)C#CCC3=CC=CC=C3)CC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C24H17F2NO2S/c1-27-23(29)18(12-16-10-11-20(25)21(26)13-16)22(28)19-14-17(30-24(19)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,13-14,18H,8,12H2,1H3