N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-N-homoveratryl-nicotinamide Formula: C23H23FN2O3S MolecularWeight: 426.503723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C23H23FN2O3S/c1-28-20-9-8-16(14-21(20)29-2)10-12-25-22(27)19-7-4-11-26-23(19)30-15-17-5-3-6-18(24)13-17/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,25,27)