N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[2-(3-fluorophenyl)ethyl]-2-[2-(p-tolylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide CAS Name: N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylphenyl)sulfonylethylthio]-3-pyridinecarboxamide IUPAC Name: N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[2-(3-fluorophenyl)ethyl]-2-(2-tosylethylthio)nicotinamide Formula: C23H23FN2O3S2 MolecularWeight: 458.568723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCCC3=CC(=CC=C3)F

InChI

InChI=1S/C23H23FN2O3S2/c1-17-7-9-20(10-8-17)31(28,29)15-14-30-23-21(6-3-12-26-23)22(27)25-13-11-18-4-2-5-19(24)16-18/h2-10,12,16H,11,13-15H2,1H3,(H,25,27)