N-[1-(2-bromanyl-5-cyano-phenoxy)-2-cyano-propan-2-yl]-4-(trifluoromethylsulfinyl)benzamide

Systemtic Name: N-[1-(2-bromanyl-5-cyano-phenoxy)-2-cyano-propan-2-yl]-4-(trifluoromethylsulfinyl)benzamide Openeye Name: N-[2-(2-bromo-5-cyano-phenoxy)-1-cyano-1-methyl-ethyl]-4-(trifluoromethylsulfinyl)benzamide CAS Name: N-[1-(2-bromo-5-cyanophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethylsulfinyl)benzamide IUPAC Name: N-[1-(2-bromo-5-cyanophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethylsulfinyl)benzamide Traditional Name: N-[2-(2-bromo-5-cyano-phenoxy)-1-cyano-1-methyl-ethyl]-4-(trifluoromethylsulfinyl)benzamide Formula: C19H13BrF3N3O3S MolecularWeight: 500.28903

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=CC(=C1)C#N)Br)(C#N)NC(=O)C2=CC=C(C=C2)S(=O)C(F)(F)F

Isomeric SMILES

CC(COC1=C(C=CC(=C1)C#N)Br)(C#N)NC(=O)C2=CC=C(C=C2)S(=O)C(F)(F)F

InChI

InChI=1S/C19H13BrF3N3O3S/c1-18(10-25,11-29-16-8-12(9-24)2-7-15(16)20)26-17(27)13-3-5-14(6-4-13)30(28)19(21,22)23/h2-8H,11H2,1H3,(H,26,27)