N-(1,3-benzodioxol-5-yl)-3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C18H14F3N3O3S MolecularWeight: 409.38227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H14F3N3O3S/c1-10-6-13(18(19,20)21)12(8-22)17(23-10)28-5-4-16(25)24-11-2-3-14-15(7-11)27-9-26-14/h2-3,6-7H,4-5,9H2,1H3,(H,24,25)