2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-4,5,6-trimethyl-nicotinamide Formula: C17H19FN2O2S MolecularWeight: 334.408363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C17H19FN2O2S/c1-9-10(2)15(16(19)21)17(20-11(9)3)23-8-12-5-6-14(22-4)13(18)7-12/h5-7H,8H2,1-4H3,(H2,19,21)