2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-N-methyl-propanimidothioate hydroiodide

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-N-methyl-propanimidothioate hydroiodide Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methyl-propanimidothioate hydroiodide CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methylpropanimidothioate hydroiodide IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methylpropanimidothioate hydroiodide Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methyl-thiopropionimidate hydroiodide Formula: C11H11F3IN4O4S- MolecularWeight: 479.19412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC)[S-])NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].I

Isomeric SMILES

CC(C(=NC)[S-])NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].I

InChI

InChI=1S/C11H11F3N4O4S.HI/c1-5(10(23)15-2)16-9-7(17(19)20)3-6(11(12,13)14)4-8(9)18(21)22;/h3-5,16H,1-2H3,(H,15,23);1H/p-1