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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C20H14F3N3O3S MolecularWeight: 433.40367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14F3N3O3S/c21-20(22,23)17-9-14(12-4-2-1-3-5-12)25-19(26-17)30-10-18(27)24-13-6-7-15-16(8-13)29-11-28-15/h1-9H,10-11H2,(H,24,27)