5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-N-methyl-4-methylsulfinyl-N-oxidanyl-pyrazol-1-ium-1-carboximidamide

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-N-methyl-4-methylsulfinyl-N-oxidanyl-pyrazol-1-ium-1-carboximidamide Openeye Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-hydroxy-N-methyl-4-methylsulfinyl-pyrazol-1-ium-1-carboxamidine CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-hydroxy-N-methyl-4-methylsulfinyl-1-pyrazol-1-iumcarboximidamide IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-hydroxy-N-methyl-4-methylsulfinylpyrazol-1-ium-1-carboximidamide Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-hydroxy-N-methyl-4-methylsulfinyl-pyrazol-1-ium-1-carboxamidine Formula: C13H13Cl2F3N5O2S+ MolecularWeight: 431.24083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=N)[N+]1(C(=C(C=N1)S(=O)C)N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)O

Isomeric SMILES

CN(C(=N)[N+]1(C(=C(C=N1)S(=O)C)N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)O

InChI

InChI=1S/C13H13Cl2F3N5O2S/c1-22(24)12(20)23(11(19)9(5-21-23)26(2)25)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-5,20,24H,19H2,1-2H3/q+1