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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C16H12F3N3O4S MolecularWeight: 399.34439

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CC(=N3)C(F)(F)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CC(=N3)C(F)(F)F)OCO2

InChI

InChI=1S/C16H12F3N3O4S/c1-8(23)9-4-11-12(26-7-25-11)5-10(9)21-14(24)6-27-15-20-3-2-13(22-15)16(17,18)19/h2-5H,6-7H2,1H3,(H,21,24)