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

Systemtic Name: 3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-veratryl-propionamide Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H20F3N3O3S/c1-12-8-15(20(21,22)23)14(10-24)19(26-12)30-7-6-18(27)25-11-13-4-5-16(28-2)17(9-13)29-3/h4-5,8-9H,6-7,11H2,1-3H3,(H,25,27)