N-(1,3-benzodioxol-5-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C21H16F3N3O3S MolecularWeight: 447.43025

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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)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H16F3N3O3S/c22-21(23,24)18-9-15(14-4-2-1-3-5-14)26-20(27-18)31-11-19(28)25-10-13-6-7-16-17(8-13)30-12-29-16/h1-9H,10-12H2,(H,25,28)