2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]thio]-N-(4-fluorobenzyl)acetamide Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O2S/c1-28-19-4-2-3-16(11-19)20-10-7-17(12-24)22(26-20)29-14-21(27)25-13-15-5-8-18(23)9-6-15/h2-11H,13-14H2,1H3,(H,25,27)