methyl N-methyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanimidothioate; sulfurofluoridic acid

Systemtic Name: methyl N-methyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanimidothioate; sulfurofluoridic acid Openeye Name: methyl N-methyl-2-(4-methyl-2,6-dinitro-anilino)propanimidothioate; sulfurofluoridic acid CAS Name: N-methyl-2-(4-methyl-2,6-dinitroanilino)propanimidothioic acid methyl ester; sulfurofluoridic acid IUPAC Name: methyl N-methyl-2-(4-methyl-2,6-dinitroanilino)propanimidothioate; sulfurofluoridic acid Traditional Name: N-methyl-2-(4-methyl-2,6-dinitro-anilino)thiopropionimidic acid methyl ester; sulfurofluoridic acid Formula: C12H17FN4O7S2 MolecularWeight: 412.414383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=NC)SC)[N+](=O)[O-].OS(=O)(=O)F

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=NC)SC)[N+](=O)[O-].OS(=O)(=O)F

InChI

InChI=1S/C12H16N4O4S.FHO3S/c1-7-5-9(15(17)18)11(10(6-7)16(19)20)14-8(2)12(13-3)21-4;1-5(2,3)4/h5-6,8,14H,1-4H3;(H,2,3,4)