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

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C14H9ClF3N3O3S MolecularWeight: 391.75277

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClF3N3O3S/c15-7-3-9-10(24-6-23-9)4-8(7)20-12(22)5-25-13-19-2-1-11(21-13)14(16,17)18/h1-4H,5-6H2,(H,20,22)