N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C18H13BrF3N3O3S MolecularWeight: 488.27833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H13BrF3N3O3S/c1-9-4-11(18(20,21)22)10(7-23)17(24-9)29-8-16(26)25-13-6-15-14(5-12(13)19)27-2-3-28-15/h4-6H,2-3,8H2,1H3,(H,25,26)