dimethyl-[2-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[2-nitro-4-(trifluoromethyl)anilino]thiocarbamoylamino]ethyl]ammonium Formula: C12H17F3N5O2S+ MolecularWeight: 352.35589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H16F3N5O2S/c1-19(2)6-5-16-11(23)18-17-9-4-3-8(12(13,14)15)7-10(9)20(21)22/h3-4,7,17H,5-6H2,1-2H3,(H2,16,18,23)/p+1