2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C22H18F3N3O3S2 MolecularWeight: 493.52183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C22H18F3N3O3S2/c1-12(20(29)27-13-6-7-17(30-2)18(9-13)31-3)33-21-14(11-26)15(22(23,24)25)10-16(28-21)19-5-4-8-32-19/h4-10,12H,1-3H3,(H,27,29)