N-[1-(4-cyanophenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[1-(4-cyanophenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[1-(4-cyanophenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[1-(4-cyanophenyl)ethyl]-2-[(4-fluorophenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[1-(4-cyanophenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[1-(4-cyanophenyl)ethyl]-2-[(4-fluorobenzyl)thio]nicotinamide Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN3OS/c1-15(18-8-4-16(13-24)5-9-18)26-21(27)20-3-2-12-25-22(20)28-14-17-6-10-19(23)11-7-17/h2-12,15H,14H2,1H3,(H,26,27)