N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-piperonyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C15H12F3N3O3S/c16-15(17,18)12-3-4-19-14(21-12)25-7-13(22)20-6-9-1-2-10-11(5-9)24-8-23-10/h1-5H,6-8H2,(H,20,22)