3-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide

Systemtic Name: 3-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Openeye Name: 3-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: 3-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: 3-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: 3-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)N)OC

InChI

InChI=1S/C18H16F3N3O3S/c1-26-14-4-3-10(7-15(14)27-2)13-8-12(18(19,20)21)11(9-22)17(24-13)28-6-5-16(23)25/h3-4,7-8H,5-6H2,1-2H3,(H2,23,25)