methyl 2-(2-nitroethylcarbamoyl)-5-[5-(trifluoromethyl)pyridin-2-yl]oxy-benzenecarboximidothioate

Systemtic Name: methyl 2-(2-nitroethylcarbamoyl)-5-[5-(trifluoromethyl)pyridin-2-yl]oxy-benzenecarboximidothioate Openeye Name: methyl 2-(2-nitroethylcarbamoyl)-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]benzenecarboximidothioate CAS Name: 2-[(2-nitroethylamino)-oxomethyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenecarboximidothioic acid methyl ester IUPAC Name: methyl 2-(2-nitroethylcarbamoyl)-5-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenecarboximidothioate Traditional Name: 2-(2-nitroethylcarbamoyl)-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]benzenecarboximidothioic acid methyl ester Formula: C17H15F3N4O4S MolecularWeight: 428.38561

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)C1=C(C=CC(=C1)OC2=NC=C(C=C2)C(F)(F)F)C(=O)NCC[N+](=O)[O-]

Isomeric SMILES

CSC(=N)C1=C(C=CC(=C1)OC2=NC=C(C=C2)C(F)(F)F)C(=O)NCC[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N4O4S/c1-29-15(21)13-8-11(3-4-12(13)16(25)22-6-7-24(26)27)28-14-5-2-10(9-23-14)17(18,19)20/h2-5,8-9,21H,6-7H2,1H3,(H,22,25)