dimethyl-[3-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[2-nitro-4-(trifluoromethyl)anilino]thiocarbamoylamino]propyl]ammonium Formula: C13H19F3N5O2S+ MolecularWeight: 366.38247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18F3N5O2S/c1-20(2)7-3-6-17-12(24)19-18-10-5-4-9(13(14,15)16)8-11(10)21(22)23/h4-5,8,18H,3,6-7H2,1-2H3,(H2,17,19,24)/p+1