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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=C(C=C3)C(F)(F)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=C(C=C3)C(F)(F)F)OCO2

InChI

InChI=1S/C17H13F3N2O4S/c1-9(23)11-4-13-14(26-8-25-13)5-12(11)22-15(24)7-27-16-3-2-10(6-21-16)17(18,19)20/h2-6H,7-8H2,1H3,(H,22,24)