N-[cyclohexyl(oxidanyl)methyl]-2-(3-ethylsulfanylphenoxy)-5-fluoranyl-pyridine-3-carboxamide

Systemtic Name: N-[cyclohexyl(oxidanyl)methyl]-2-(3-ethylsulfanylphenoxy)-5-fluoranyl-pyridine-3-carboxamide Openeye Name: N-[cyclohexyl(hydroxy)methyl]-2-(3-ethylsulfanylphenoxy)-5-fluoro-pyridine-3-carboxamide CAS Name: N-[cyclohexyl(hydroxy)methyl]-2-[3-(ethylthio)phenoxy]-5-fluoro-3-pyridinecarboxamide IUPAC Name: N-[cyclohexyl(hydroxy)methyl]-2-(3-ethylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide Traditional Name: N-[cyclohexyl(hydroxy)methyl]-2-[3-(ethylthio)phenoxy]-5-fluoro-nicotinamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC(C3CCCCC3)O)F

Isomeric SMILES

CCSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC(C3CCCCC3)O)F

InChI

InChI=1S/C21H25FN2O3S/c1-2-28-17-10-6-9-16(12-17)27-21-18(11-15(22)13-23-21)20(26)24-19(25)14-7-4-3-5-8-14/h6,9-14,19,25H,2-5,7-8H2,1H3,(H,24,26)