N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-piperonyl-acetamide Formula: C21H14F3N3O3S2 MolecularWeight: 477.47937

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N

InChI

InChI=1S/C21H14F3N3O3S2/c22-21(23,24)14-7-15(18-2-1-5-31-18)27-20(13(14)8-25)32-10-19(28)26-9-12-3-4-16-17(6-12)30-11-29-16/h1-7H,9-11H2,(H,26,28)