2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(3-fluoro-4-methyl-phenyl)pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(3-fluoro-4-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-(3-fluoro-4-methyl-phenyl)nicotinamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C)F

InChI

InChI=1S/C21H19FN4O2S/c1-13-5-6-16(11-18(13)22)26-20(28)17-4-3-8-24-21(17)29-12-15-7-9-23-19(10-15)25-14(2)27/h3-11H,12H2,1-2H3,(H,26,28)(H,23,25,27)