N-[3-[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]ethanamide

Systemtic Name: N-[3-[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]ethanamide Openeye Name: N-[3-[[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propyl]acetamide CAS Name: N-[3-[[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propyl]acetamide IUPAC Name: N-[3-[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]acetamide Traditional Name: N-[3-[[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]propyl]acetamide Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCSC1=C(C(=CC(=N1)C2=CC(=CC=C2)OC)C(F)(F)F)C#N

Isomeric SMILES

CC(=O)NCCCSC1=C(C(=CC(=N1)C2=CC(=CC=C2)OC)C(F)(F)F)C#N

InChI

InChI=1S/C19H18F3N3O2S/c1-12(26)24-7-4-8-28-18-15(11-23)16(19(20,21)22)10-17(25-18)13-5-3-6-14(9-13)27-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,24,26)